4-butoxyhepta-1,6-diene;3-(butoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;4-ethoxyhepta-1,6-diene;3-(ethoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(heptoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(hexoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(4-methoxybutoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(2-methoxyethoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;4-methoxyhepta-1,6-diene;3-(6-methoxyhexoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(methoxymethoxymethoxymethoxymethoxy)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(methoxymethoxymethoxymethoxymethoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(methoxymethoxymethoxymethoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(methoxymethoxymethoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(methoxymethoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(methoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(5-methoxypentoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(3-methoxypropoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(pentoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;4-propoxyhepta-1,6-diene;3-(propoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene

C262H380O40 — CID 159633803

IUPAC4-butoxyhepta-1,6-diene;3-(butoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;4-ethoxyhepta-1,6-diene;3-(ethoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(heptoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(hexoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(4-methoxybutoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(2-methoxyethoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;4-methoxyhepta-1,6-diene;3-(6-methoxyhexoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(methoxymethoxymethoxymethoxymethoxy)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(methoxymethoxymethoxymethoxymethoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(methoxymethoxymethoxymethoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(methoxymethoxymethoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(methoxymethoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(methoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(5-methoxypentoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(3-methoxypropoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(pentoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;4-propoxyhepta-1,6-diene;3-(propoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene
SMILESC=CCC(CC=C)OC.C=CCC(CC=C)OCC.C=CCC(CC=C)OCCC.C=CCC(CC=C)OCCCC.CCCCCCCOCc1ccc2c(c1)CC2.CCCCCCOCc1ccc2c(c1)CC2.CCCCCOCc1ccc2c(c1)CC2.CCCCOCc1ccc2c(c1)CC2.CCCOCc1ccc2c(c1)CC2.CCOCc1ccc2c(c1)CC2.COCCCCCCOCc1ccc2c(c1)CC2.COCCCCCOCc1ccc2c(c1)CC2.COCCCCOCc1ccc2c(c1)CC2.COCCCOCc1ccc2c(c1)CC2.COCCOCc1ccc2c(c1)CC2.COCOCOCOCOCc1ccc2c(c1)CC2.COCOCOCOCOc1ccc2c(c1)CC2.COCOCOCOCc1ccc2c(c1)CC2.COCOCOCc1ccc2c(c1)CC2.COCOCc1ccc2c(c1)CC2.COCc1ccc2c(c1)CC2
InChIInChI=1S/C16H24O2.C16H24O.C15H22O2.C15H22O.C14H20O5.C14H20O2.C14H20O.C13H18O5.C13H18O4.C13H18O2.C13H18O.C12H16O3.C12H16O2.C12H16O.C11H14O2.C11H14O.C11H20O.C10H12O.C10H18O.C9H16O.C8H14O/c1-17-10-4-2-3-5-11-18-13-14-6-7-15-8-9-16(15)12-14;1-2-3-4-5-6-11-17-13-14-7-8-15-9-10-16(15)12-14;1-16-9-3-2-4-10-17-12-13-5-6-14-7-8-15(14)11-13;1-2-3-4-5-10-16-12-13-6-7-14-8-9-15(14)11-13;1-15-8-17-10-19-11-18-9-16-7-12-2-3-13-4-5-14(13)6-12;1-15-8-2-3-9-16-11-12-4-5-13-6-7-14(13)10-12;1-2-3-4-9-15-11-12-5-6-13-7-8-14(13)10-12;1-14-7-15-8-16-9-17-10-18-13-5-4-11-2-3-12(11)6-13;1-14-8-16-10-17-9-15-7-11-2-3-12-4-5-13(12)6-11;1-14-7-2-8-15-10-11-3-4-12-5-6-13(12)9-11;1-2-3-8-14-10-11-4-5-12-6-7-13(12)9-11;1-13-8-15-9-14-7-10-2-3-11-4-5-12(11)6-10;1-13-6-7-14-9-10-2-3-11-4-5-12(11)8-10;1-2-7-13-9-10-3-4-11-5-6-12(11)8-10;1-12-8-13-7-9-2-3-10-4-5-11(10)6-9;1-2-12-8-9-3-4-10-5-6-11(10)7-9;1-4-7-10-12-11(8-5-2)9-6-3;1-11-7-8-2-3-9-4-5-10(9)6-8;1-4-7-10(8-5-2)11-9-6-3;1-4-7-9(8-5-2)10-6-3;1-4-6-8(9-3)7-5-2/h6-7,12H,2-5,8-11,13H2,1H3;7-8,12H,2-6,9-11,13H2,1H3;5-6,11H,2-4,7-10,12H2,1H3;6-7,11H,2-5,8-10,12H2,1H3;2-3,6H,4-5,7-11H2,1H3;4-5,10H,2-3,6-9,11H2,1H3;5-6,10H,2-4,7-9,11H2,1H3;4-6H,2-3,7-10H2,1H3;2-3,6H,4-5,7-10H2,1H3;3-4,9H,2,5-8,10H2,1H3;4-5,9H,2-3,6-8,10H2,1H3;2-3,6H,4-5,7-9H2,1H3;2-3,8H,4-7,9H2,1H3;3-4,8H,2,5-7,9H2,1H3;2-3,6H,4-5,7-8H2,1H3;3-4,7H,2,5-6,8H2,1H3;5-6,11H,2-4,7-10H2,1H3;2-3,6H,4-5,7H2,1H3;4-5,10H,1-2,6-9H2,3H3;4-5,9H,1-2,6-8H2,3H3;4-5,8H,1-2,6-7H2,3H3
InChIKeyMPMAWMIPKJFKJV-UHFFFAOYSA-N
MW4169.88 g/mol
LogP55.47
Rot. Bonds133

About 4-butoxyhepta-1,6-diene;3-(butoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;4-ethoxyhepta-1,6-diene;3-(ethoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(heptoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(hexoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(4-methoxybutoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(2-methoxyethoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;4-methoxyhepta-1,6-diene;3-(6-methoxyhexoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(methoxymethoxymethoxymethoxymethoxy)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(methoxymethoxymethoxymethoxymethoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(methoxymethoxymethoxymethoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(methoxymethoxymethoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(methoxymethoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(methoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(5-methoxypentoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(3-methoxypropoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(pentoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;4-propoxyhepta-1,6-diene;3-(propoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene

4-butoxyhepta-1,6-diene;3-(butoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;4-ethoxyhepta-1,6-diene;3-(ethoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(heptoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(hexoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(4-methoxybutoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(2-methoxyethoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;4-methoxyhepta-1,6-diene;3-(6-methoxyhexoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(methoxymethoxymethoxymethoxymethoxy)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(methoxymethoxymethoxymethoxymethoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(methoxymethoxymethoxymethoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(methoxymethoxymethoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(methoxymethoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(methoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(5-methoxypentoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(3-methoxypropoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(pentoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;4-propoxyhepta-1,6-diene;3-(propoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene (PubChem CID 159633803) has the molecular formula C262H380O40 and a molecular weight of 4169.88 g/mol. Its IUPAC name is 4-butoxyhepta-1,6-diene;3-(butoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;4-ethoxyhepta-1,6-diene;3-(ethoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(heptoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(hexoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(4-methoxybutoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(2-methoxyethoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;4-methoxyhepta-1,6-diene;3-(6-methoxyhexoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(methoxymethoxymethoxymethoxymethoxy)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(methoxymethoxymethoxymethoxymethoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(methoxymethoxymethoxymethoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(methoxymethoxymethoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(methoxymethoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(methoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(5-methoxypentoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(3-methoxypropoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(pentoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;4-propoxyhepta-1,6-diene;3-(propoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene.

Molecular Properties

Compound Name4-butoxyhepta-1,6-diene;3-(butoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;4-ethoxyhepta-1,6-diene;3-(ethoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(heptoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(hexoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(4-methoxybutoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(2-methoxyethoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;4-methoxyhepta-1,6-diene;3-(6-methoxyhexoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(methoxymethoxymethoxymethoxymethoxy)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(methoxymethoxymethoxymethoxymethoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(methoxymethoxymethoxymethoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(methoxymethoxymethoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(methoxymethoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(methoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(5-methoxypentoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(3-methoxypropoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(pentoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;4-propoxyhepta-1,6-diene;3-(propoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene
PubChem CID159633803
Molecular FormulaC262H380O40
Molecular Weight4169.88 g/mol
Exact Mass4166.77
IUPAC Name4-butoxyhepta-1,6-diene;3-(butoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;4-ethoxyhepta-1,6-diene;3-(ethoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(heptoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(hexoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(4-methoxybutoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(2-methoxyethoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;4-methoxyhepta-1,6-diene;3-(6-methoxyhexoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(methoxymethoxymethoxymethoxymethoxy)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(methoxymethoxymethoxymethoxymethoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(methoxymethoxymethoxymethoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(methoxymethoxymethoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(methoxymethoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(methoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(5-methoxypentoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(3-methoxypropoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(pentoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;4-propoxyhepta-1,6-diene;3-(propoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene
SMILESC=CCC(CC=C)OC.C=CCC(CC=C)OCC.C=CCC(CC=C)OCCC.C=CCC(CC=C)OCCCC.CCCCCCCOCc1ccc2c(c1)CC2.CCCCCCOCc1ccc2c(c1)CC2.CCCCCOCc1ccc2c(c1)CC2.CCCCOCc1ccc2c(c1)CC2.CCCOCc1ccc2c(c1)CC2.CCOCc1ccc2c(c1)CC2.COCCCCCCOCc1ccc2c(c1)CC2.COCCCCCOCc1ccc2c(c1)CC2.COCCCCOCc1ccc2c(c1)CC2.COCCCOCc1ccc2c(c1)CC2.COCCOCc1ccc2c(c1)CC2.COCOCOCOCOCc1ccc2c(c1)CC2.COCOCOCOCOc1ccc2c(c1)CC2.COCOCOCOCc1ccc2c(c1)CC2.COCOCOCc1ccc2c(c1)CC2.COCOCc1ccc2c(c1)CC2.COCc1ccc2c(c1)CC2
InChIInChI=1S/C16H24O2.C16H24O.C15H22O2.C15H22O.C14H20O5.C14H20O2.C14H20O.C13H18O5.C13H18O4.C13H18O2.C13H18O.C12H16O3.C12H16O2.C12H16O.C11H14O2.C11H14O.C11H20O.C10H12O.C10H18O.C9H16O.C8H14O/c1-17-10-4-2-3-5-11-18-13-14-6-7-15-8-9-16(15)12-14;1-2-3-4-5-6-11-17-13-14-7-8-15-9-10-16(15)12-14;1-16-9-3-2-4-10-17-12-13-5-6-14-7-8-15(14)11-13;1-2-3-4-5-10-16-12-13-6-7-14-8-9-15(14)11-13;1-15-8-17-10-19-11-18-9-16-7-12-2-3-13-4-5-14(13)6-12;1-15-8-2-3-9-16-11-12-4-5-13-6-7-14(13)10-12;1-2-3-4-9-15-11-12-5-6-13-7-8-14(13)10-12;1-14-7-15-8-16-9-17-10-18-13-5-4-11-2-3-12(11)6-13;1-14-8-16-10-17-9-15-7-11-2-3-12-4-5-13(12)6-11;1-14-7-2-8-15-10-11-3-4-12-5-6-13(12)9-11;1-2-3-8-14-10-11-4-5-12-6-7-13(12)9-11;1-13-8-15-9-14-7-10-2-3-11-4-5-12(11)6-10;1-13-6-7-14-9-10-2-3-11-4-5-12(11)8-10;1-2-7-13-9-10-3-4-11-5-6-12(11)8-10;1-12-8-13-7-9-2-3-10-4-5-11(10)6-9;1-2-12-8-9-3-4-10-5-6-11(10)7-9;1-4-7-10-12-11(8-5-2)9-6-3;1-11-7-8-2-3-9-4-5-10(9)6-8;1-4-7-10(8-5-2)11-9-6-3;1-4-7-9(8-5-2)10-6-3;1-4-6-8(9-3)7-5-2/h6-7,12H,2-5,8-11,13H2,1H3;7-8,12H,2-6,9-11,13H2,1H3;5-6,11H,2-4,7-10,12H2,1H3;6-7,11H,2-5,8-10,12H2,1H3;2-3,6H,4-5,7-11H2,1H3;4-5,10H,2-3,6-9,11H2,1H3;5-6,10H,2-4,7-9,11H2,1H3;4-6H,2-3,7-10H2,1H3;2-3,6H,4-5,7-10H2,1H3;3-4,9H,2,5-8,10H2,1H3;4-5,9H,2-3,6-8,10H2,1H3;2-3,6H,4-5,7-9H2,1H3;2-3,8H,4-7,9H2,1H3;3-4,8H,2,5-7,9H2,1H3;2-3,6H,4-5,7-8H2,1H3;3-4,7H,2,5-6,8H2,1H3;5-6,11H,2-4,7-10H2,1H3;2-3,6H,4-5,7H2,1H3;4-5,10H,1-2,6-9H2,3H3;4-5,9H,1-2,6-8H2,3H3;4-5,8H,1-2,6-7H2,3H3
InChIKeyMPMAWMIPKJFKJV-UHFFFAOYSA-N
XLogP55.47
TPSA369.20 Ų
H-Bond Donors
H-Bond Acceptors40
Rotatable Bonds133
Heavy Atoms302
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004169.88
LogP ≤ 555.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1040

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4-butoxyhepta-1,6-diene;3-(butoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;4-ethoxyhepta-1,6-diene;3-(ethoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(heptoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(hexoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(4-methoxybutoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(2-methoxyethoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;4-methoxyhepta-1,6-diene;3-(6-methoxyhexoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(methoxymethoxymethoxymethoxymethoxy)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(methoxymethoxymethoxymethoxymethoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(methoxymethoxymethoxymethoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(methoxymethoxymethoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(methoxymethoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(methoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(5-methoxypentoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(3-methoxypropoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(pentoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;4-propoxyhepta-1,6-diene;3-(propoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-butoxyhepta-1,6-diene;3-(butoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;4-ethoxyhepta-1,6-diene;3-(ethoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(heptoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(hexoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(4-methoxybutoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(2-methoxyethoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;4-methoxyhepta-1,6-diene;3-(6-methoxyhexoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(methoxymethoxymethoxymethoxymethoxy)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(methoxymethoxymethoxymethoxymethoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(methoxymethoxymethoxymethoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(methoxymethoxymethoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(methoxymethoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(methoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(5-methoxypentoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(3-methoxypropoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(pentoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;4-propoxyhepta-1,6-diene;3-(propoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene?
The IUPAC name of 4-butoxyhepta-1,6-diene;3-(butoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;4-ethoxyhepta-1,6-diene;3-(ethoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(heptoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(hexoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(4-methoxybutoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(2-methoxyethoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;4-methoxyhepta-1,6-diene;3-(6-methoxyhexoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(methoxymethoxymethoxymethoxymethoxy)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(methoxymethoxymethoxymethoxymethoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(methoxymethoxymethoxymethoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(methoxymethoxymethoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(methoxymethoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(methoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(5-methoxypentoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(3-methoxypropoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(pentoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;4-propoxyhepta-1,6-diene;3-(propoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene (CID 159633803) is 4-butoxyhepta-1,6-diene;3-(butoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;4-ethoxyhepta-1,6-diene;3-(ethoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(heptoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(hexoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(4-methoxybutoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(2-methoxyethoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;4-methoxyhepta-1,6-diene;3-(6-methoxyhexoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(methoxymethoxymethoxymethoxymethoxy)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(methoxymethoxymethoxymethoxymethoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(methoxymethoxymethoxymethoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(methoxymethoxymethoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(methoxymethoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(methoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(5-methoxypentoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(3-methoxypropoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(pentoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;4-propoxyhepta-1,6-diene;3-(propoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene.
What is the SMILES notation for 4-butoxyhepta-1,6-diene;3-(butoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;4-ethoxyhepta-1,6-diene;3-(ethoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(heptoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(hexoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(4-methoxybutoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(2-methoxyethoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;4-methoxyhepta-1,6-diene;3-(6-methoxyhexoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(methoxymethoxymethoxymethoxymethoxy)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(methoxymethoxymethoxymethoxymethoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(methoxymethoxymethoxymethoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(methoxymethoxymethoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(methoxymethoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(methoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(5-methoxypentoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(3-methoxypropoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(pentoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;4-propoxyhepta-1,6-diene;3-(propoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene?
The canonical SMILES for 4-butoxyhepta-1,6-diene;3-(butoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;4-ethoxyhepta-1,6-diene;3-(ethoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(heptoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(hexoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(4-methoxybutoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(2-methoxyethoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;4-methoxyhepta-1,6-diene;3-(6-methoxyhexoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(methoxymethoxymethoxymethoxymethoxy)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(methoxymethoxymethoxymethoxymethoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(methoxymethoxymethoxymethoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(methoxymethoxymethoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(methoxymethoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(methoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(5-methoxypentoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(3-methoxypropoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(pentoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;4-propoxyhepta-1,6-diene;3-(propoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene is C=CCC(CC=C)OC.C=CCC(CC=C)OCC.C=CCC(CC=C)OCCC.C=CCC(CC=C)OCCCC.CCCCCCCOCc1ccc2c(c1)CC2.CCCCCCOCc1ccc2c(c1)CC2.CCCCCOCc1ccc2c(c1)CC2.CCCCOCc1ccc2c(c1)CC2.CCCOCc1ccc2c(c1)CC2.CCOCc1ccc2c(c1)CC2.COCCCCCCOCc1ccc2c(c1)CC2.COCCCCCOCc1ccc2c(c1)CC2.COCCCCOCc1ccc2c(c1)CC2.COCCCOCc1ccc2c(c1)CC2.COCCOCc1ccc2c(c1)CC2.COCOCOCOCOCc1ccc2c(c1)CC2.COCOCOCOCOc1ccc2c(c1)CC2.COCOCOCOCc1ccc2c(c1)CC2.COCOCOCc1ccc2c(c1)CC2.COCOCc1ccc2c(c1)CC2.COCc1ccc2c(c1)CC2.
What is the InChIKey of 4-butoxyhepta-1,6-diene;3-(butoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;4-ethoxyhepta-1,6-diene;3-(ethoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(heptoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(hexoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(4-methoxybutoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(2-methoxyethoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;4-methoxyhepta-1,6-diene;3-(6-methoxyhexoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(methoxymethoxymethoxymethoxymethoxy)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(methoxymethoxymethoxymethoxymethoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(methoxymethoxymethoxymethoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(methoxymethoxymethoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(methoxymethoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(methoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(5-methoxypentoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(3-methoxypropoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(pentoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;4-propoxyhepta-1,6-diene;3-(propoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene?
The InChIKey is MPMAWMIPKJFKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2.C16H24O.C15H22O2.C15H22O.C14H20O5.C14H20O2.C14H20O.C13H18O5.C13H18O4.C13H18O2.C13H18O.C12H16O3.C12H16O2.C12H16O.C11H14O2.C11H14O.C11H20O.C10H12O.C10H18O.C9H16O.C8H14O/c1-17-10-4-2-3-5-11-18-13-14-6-7-15-8-9-16(15)12-14;1-2-3-4-5-6-11-17-13-14-7-8-15-9-10-16(15)12-14;1-16-9-3-2-4-10-17-12-13-5-6-14-7-8-15(14)11-13;1-2-3-4-5-10-16-12-13-6-7-14-8-9-15(14)11-13;1-15-8-17-10-19-11-18-9-16-7-12-2-3-13-4-5-14(13)6-12;1-15-8-2-3-9-16-11-12-4-5-13-6-7-14(13)10-12;1-2-3-4-9-15-11-12-5-6-13-7-8-14(13)10-12;1-14-7-15-8-16-9-17-10-18-13-5-4-11-2-3-12(11)6-13;1-14-8-16-10-17-9-15-7-11-2-3-12-4-5-13(12)6-11;1-14-7-2-8-15-10-11-3-4-12-5-6-13(12)9-11;1-2-3-8-14-10-11-4-5-12-6-7-13(12)9-11;1-13-8-15-9-14-7-10-2-3-11-4-5-12(11)6-10;1-13-6-7-14-9-10-2-3-11-4-5-12(11)8-10;1-2-7-13-9-10-3-4-11-5-6-12(11)8-10;1-12-8-13-7-9-2-3-10-4-5-11(10)6-9;1-2-12-8-9-3-4-10-5-6-11(10)7-9;1-4-7-10-12-11(8-5-2)9-6-3;1-11-7-8-2-3-9-4-5-10(9)6-8;1-4-7-10(8-5-2)11-9-6-3;1-4-7-9(8-5-2)10-6-3;1-4-6-8(9-3)7-5-2/h6-7,12H,2-5,8-11,13H2,1H3;7-8,12H,2-6,9-11,13H2,1H3;5-6,11H,2-4,7-10,12H2,1H3;6-7,11H,2-5,8-10,12H2,1H3;2-3,6H,4-5,7-11H2,1H3;4-5,10H,2-3,6-9,11H2,1H3;5-6,10H,2-4,7-9,11H2,1H3;4-6H,2-3,7-10H2,1H3;2-3,6H,4-5,7-10H2,1H3;3-4,9H,2,5-8,10H2,1H3;4-5,9H,2-3,6-8,10H2,1H3;2-3,6H,4-5,7-9H2,1H3;2-3,8H,4-7,9H2,1H3;3-4,8H,2,5-7,9H2,1H3;2-3,6H,4-5,7-8H2,1H3;3-4,7H,2,5-6,8H2,1H3;5-6,11H,2-4,7-10H2,1H3;2-3,6H,4-5,7H2,1H3;4-5,10H,1-2,6-9H2,3H3;4-5,9H,1-2,6-8H2,3H3;4-5,8H,1-2,6-7H2,3H3.
What are the key properties of 4-butoxyhepta-1,6-diene;3-(butoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;4-ethoxyhepta-1,6-diene;3-(ethoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(heptoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(hexoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(4-methoxybutoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(2-methoxyethoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;4-methoxyhepta-1,6-diene;3-(6-methoxyhexoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(methoxymethoxymethoxymethoxymethoxy)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(methoxymethoxymethoxymethoxymethoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(methoxymethoxymethoxymethoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(methoxymethoxymethoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(methoxymethoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(methoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(5-methoxypentoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(3-methoxypropoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(pentoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;4-propoxyhepta-1,6-diene;3-(propoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene?
4-butoxyhepta-1,6-diene;3-(butoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;4-ethoxyhepta-1,6-diene;3-(ethoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(heptoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(hexoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(4-methoxybutoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(2-methoxyethoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;4-methoxyhepta-1,6-diene;3-(6-methoxyhexoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(methoxymethoxymethoxymethoxymethoxy)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(methoxymethoxymethoxymethoxymethoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(methoxymethoxymethoxymethoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(methoxymethoxymethoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(methoxymethoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(methoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(5-methoxypentoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(3-methoxypropoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(pentoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;4-propoxyhepta-1,6-diene;3-(propoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene has a molecular weight of 4169.88 g/mol, XLogP of 55.47, 133 rotatable bonds, 0 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxyhepta-1,6-diene;3-(butoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;4-ethoxyhepta-1,6-diene;3-(ethoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(heptoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(hexoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(4-methoxybutoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(2-methoxyethoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;4-methoxyhepta-1,6-diene;3-(6-methoxyhexoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(methoxymethoxymethoxymethoxymethoxy)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(methoxymethoxymethoxymethoxymethoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(methoxymethoxymethoxymethoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(methoxymethoxymethoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(methoxymethoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(methoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(5-methoxypentoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(3-methoxypropoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;3-(pentoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;4-propoxyhepta-1,6-diene;3-(propoxymethyl)bicyclo[4.2.0]octa-1(6),2,4-triene is sourced from PubChem (CID 159633803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).