1-butoxy-4-ethenylbenzene;1-ethenyl-4-(4-methoxybutoxy)benzene;1-ethenyl-3-(6-methoxyhexoxy)benzene;1-ethenyl-4-(8-methoxyoctoxy)benzene;1-ethenyl-4-propoxybenzene;3-methoxybicyclo[4.2.0]octa-1(6),2,4-triene;3-(4-methoxybutoxy)bicyclo[4.2.0]octa-1(6),2,4-triene

C90H124O11 — CID 159603141

IUPAC1-butoxy-4-ethenylbenzene;1-ethenyl-4-(4-methoxybutoxy)benzene;1-ethenyl-3-(6-methoxyhexoxy)benzene;1-ethenyl-4-(8-methoxyoctoxy)benzene;1-ethenyl-4-propoxybenzene;3-methoxybicyclo[4.2.0]octa-1(6),2,4-triene;3-(4-methoxybutoxy)bicyclo[4.2.0]octa-1(6),2,4-triene
SMILESC=Cc1ccc(OCCC)cc1.C=Cc1ccc(OCCCC)cc1.C=Cc1ccc(OCCCCCCCCOC)cc1.C=Cc1ccc(OCCCCOC)cc1.C=Cc1cccc(OCCCCCCOC)c1.COCCCCOc1ccc2c(c1)CC2.COc1ccc2c(c1)CC2
InChIInChI=1S/C17H26O2.C15H22O2.2C13H18O2.C12H16O.C11H14O.C9H10O/c1-3-16-10-12-17(13-11-16)19-15-9-7-5-4-6-8-14-18-2;1-3-14-9-8-10-15(13-14)17-12-7-5-4-6-11-16-2;1-14-8-2-3-9-15-13-7-6-11-4-5-12(11)10-13;1-3-12-6-8-13(9-7-12)15-11-5-4-10-14-2;1-3-5-10-13-12-8-6-11(4-2)7-9-12;1-3-9-12-11-7-5-10(4-2)6-8-11;1-10-9-5-4-7-2-3-8(7)6-9/h3,10-13H,1,4-9,14-15H2,2H3;3,8-10,13H,1,4-7,11-12H2,2H3;6-7,10H,2-5,8-9H2,1H3;3,6-9H,1,4-5,10-11H2,2H3;4,6-9H,2-3,5,10H2,1H3;4-8H,2-3,9H2,1H3;4-6H,2-3H2,1H3
InChIKeyMLSYAHSYCHNUOE-UHFFFAOYSA-N
MW1381.97 g/mol
LogP22.76
Rot. Bonds43

About 1-butoxy-4-ethenylbenzene;1-ethenyl-4-(4-methoxybutoxy)benzene;1-ethenyl-3-(6-methoxyhexoxy)benzene;1-ethenyl-4-(8-methoxyoctoxy)benzene;1-ethenyl-4-propoxybenzene;3-methoxybicyclo[4.2.0]octa-1(6),2,4-triene;3-(4-methoxybutoxy)bicyclo[4.2.0]octa-1(6),2,4-triene

1-butoxy-4-ethenylbenzene;1-ethenyl-4-(4-methoxybutoxy)benzene;1-ethenyl-3-(6-methoxyhexoxy)benzene;1-ethenyl-4-(8-methoxyoctoxy)benzene;1-ethenyl-4-propoxybenzene;3-methoxybicyclo[4.2.0]octa-1(6),2,4-triene;3-(4-methoxybutoxy)bicyclo[4.2.0]octa-1(6),2,4-triene (PubChem CID 159603141) has the molecular formula C90H124O11 and a molecular weight of 1381.97 g/mol. Its IUPAC name is 1-butoxy-4-ethenylbenzene;1-ethenyl-4-(4-methoxybutoxy)benzene;1-ethenyl-3-(6-methoxyhexoxy)benzene;1-ethenyl-4-(8-methoxyoctoxy)benzene;1-ethenyl-4-propoxybenzene;3-methoxybicyclo[4.2.0]octa-1(6),2,4-triene;3-(4-methoxybutoxy)bicyclo[4.2.0]octa-1(6),2,4-triene.

Molecular Properties

Compound Name1-butoxy-4-ethenylbenzene;1-ethenyl-4-(4-methoxybutoxy)benzene;1-ethenyl-3-(6-methoxyhexoxy)benzene;1-ethenyl-4-(8-methoxyoctoxy)benzene;1-ethenyl-4-propoxybenzene;3-methoxybicyclo[4.2.0]octa-1(6),2,4-triene;3-(4-methoxybutoxy)bicyclo[4.2.0]octa-1(6),2,4-triene
PubChem CID159603141
Molecular FormulaC90H124O11
Molecular Weight1381.97 g/mol
Exact Mass1380.91
IUPAC Name1-butoxy-4-ethenylbenzene;1-ethenyl-4-(4-methoxybutoxy)benzene;1-ethenyl-3-(6-methoxyhexoxy)benzene;1-ethenyl-4-(8-methoxyoctoxy)benzene;1-ethenyl-4-propoxybenzene;3-methoxybicyclo[4.2.0]octa-1(6),2,4-triene;3-(4-methoxybutoxy)bicyclo[4.2.0]octa-1(6),2,4-triene
SMILESC=Cc1ccc(OCCC)cc1.C=Cc1ccc(OCCCC)cc1.C=Cc1ccc(OCCCCCCCCOC)cc1.C=Cc1ccc(OCCCCOC)cc1.C=Cc1cccc(OCCCCCCOC)c1.COCCCCOc1ccc2c(c1)CC2.COc1ccc2c(c1)CC2
InChIInChI=1S/C17H26O2.C15H22O2.2C13H18O2.C12H16O.C11H14O.C9H10O/c1-3-16-10-12-17(13-11-16)19-15-9-7-5-4-6-8-14-18-2;1-3-14-9-8-10-15(13-14)17-12-7-5-4-6-11-16-2;1-14-8-2-3-9-15-13-7-6-11-4-5-12(11)10-13;1-3-12-6-8-13(9-7-12)15-11-5-4-10-14-2;1-3-5-10-13-12-8-6-11(4-2)7-9-12;1-3-9-12-11-7-5-10(4-2)6-8-11;1-10-9-5-4-7-2-3-8(7)6-9/h3,10-13H,1,4-9,14-15H2,2H3;3,8-10,13H,1,4-7,11-12H2,2H3;6-7,10H,2-5,8-9H2,1H3;3,6-9H,1,4-5,10-11H2,2H3;4,6-9H,2-3,5,10H2,1H3;4-8H,2-3,9H2,1H3;4-6H,2-3H2,1H3
InChIKeyMLSYAHSYCHNUOE-UHFFFAOYSA-N
XLogP22.76
TPSA101.53 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds43
Heavy Atoms101
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001381.97
LogP ≤ 522.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-butoxy-4-ethenylbenzene;1-ethenyl-4-(4-methoxybutoxy)benzene;1-ethenyl-3-(6-methoxyhexoxy)benzene;1-ethenyl-4-(8-methoxyoctoxy)benzene;1-ethenyl-4-propoxybenzene;3-methoxybicyclo[4.2.0]octa-1(6),2,4-triene;3-(4-methoxybutoxy)bicyclo[4.2.0]octa-1(6),2,4-triene with MolForge

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Related Compounds

1-butoxy-4-ethenylbenzene;1-ethenyl-4-heptoxybenzene;1-ethenyl-3-hexoxybenzene;1-ethenyl-4-(4-methoxybutoxy)benzene;1-ethenyl-4-nonoxybenzene;1-ethenyl-3-pentoxybenzene
CID 161207949
1-ethenyl-3-(6-methoxyhexoxy)benzene;1-ethenyl-4-(8-methoxyoctoxy)benzene;1-ethenyl-4-propoxybenzene;3-heptoxybicyclo[4.2.0]octa-1(6),2,4-triene;3-hexoxybicyclo[4.2.0]octa-1(6),2,4-triene;3-methoxybicyclo[4.2.0]octa-1(6),2,4-triene;3-(4-methoxybutoxy)bicyclo[4.2.0]octa-1(6),2,4-triene;4-pentoxyhepta-1,6-diene;3-propoxypenta-1,4-diene;3-propylbicyclo[4.2.0]octa-1(6),2,4-triene
CID 158039049
1-butoxy-3-ethenylbenzene;1-ethenyl-3-ethoxybenzene;1-ethenyl-3-heptoxybenzene;1-ethenyl-3-hexoxybenzene;1-ethenyl-3-methoxybenzene;1-ethenyl-3-(4-methoxybutoxy)benzene;1-ethenyl-3-(2-methoxyethoxy)benzene;1-ethenyl-3-(methoxymethoxy)benzene;1-ethenyl-4-(methoxymethoxymethoxymethoxymethoxymethyl)benzene;1-ethenyl-4-(methoxymethoxymethoxymethoxymethyl)benzene;1-ethenyl-3-(3-methoxypropoxy)benzene;1-ethenyl-3-pentoxybenzene;1-ethenyl-3-propoxybenzene
CID 157425281
1-ethenyl-4-henicosoxybenzene
CID 174769675
1-ethenyl-4-undecoxybenzene
CID 174770051
1-ethenyl-3-pentoxybenzene;N-ethylethanamine
CID 68645274
1-ethenyl-4-[6-(4-ethenylphenoxy)hexoxy]benzene
CID 66919086
4-(3-ethenylphenoxy)-N,N-dipropylbutan-1-amine
CID 68645781
[4-[5-(4-ethenylphenoxy)pentoxy]phenyl]-(4-methoxyphenyl)diazene
CID 71342009
1-ethenyl-4-[(3-methoxyphenyl)methoxy]benzene
CID 142732471
1-ethenyl-3-ethoxybenzene
CID 11672687
1-(4-decoxyphenyl)-N-(4-ethenylphenyl)methanimine
CID 59991212

Frequently Asked Questions

What is the IUPAC name of 1-butoxy-4-ethenylbenzene;1-ethenyl-4-(4-methoxybutoxy)benzene;1-ethenyl-3-(6-methoxyhexoxy)benzene;1-ethenyl-4-(8-methoxyoctoxy)benzene;1-ethenyl-4-propoxybenzene;3-methoxybicyclo[4.2.0]octa-1(6),2,4-triene;3-(4-methoxybutoxy)bicyclo[4.2.0]octa-1(6),2,4-triene?
The IUPAC name of 1-butoxy-4-ethenylbenzene;1-ethenyl-4-(4-methoxybutoxy)benzene;1-ethenyl-3-(6-methoxyhexoxy)benzene;1-ethenyl-4-(8-methoxyoctoxy)benzene;1-ethenyl-4-propoxybenzene;3-methoxybicyclo[4.2.0]octa-1(6),2,4-triene;3-(4-methoxybutoxy)bicyclo[4.2.0]octa-1(6),2,4-triene (CID 159603141) is 1-butoxy-4-ethenylbenzene;1-ethenyl-4-(4-methoxybutoxy)benzene;1-ethenyl-3-(6-methoxyhexoxy)benzene;1-ethenyl-4-(8-methoxyoctoxy)benzene;1-ethenyl-4-propoxybenzene;3-methoxybicyclo[4.2.0]octa-1(6),2,4-triene;3-(4-methoxybutoxy)bicyclo[4.2.0]octa-1(6),2,4-triene.
What is the SMILES notation for 1-butoxy-4-ethenylbenzene;1-ethenyl-4-(4-methoxybutoxy)benzene;1-ethenyl-3-(6-methoxyhexoxy)benzene;1-ethenyl-4-(8-methoxyoctoxy)benzene;1-ethenyl-4-propoxybenzene;3-methoxybicyclo[4.2.0]octa-1(6),2,4-triene;3-(4-methoxybutoxy)bicyclo[4.2.0]octa-1(6),2,4-triene?
The canonical SMILES for 1-butoxy-4-ethenylbenzene;1-ethenyl-4-(4-methoxybutoxy)benzene;1-ethenyl-3-(6-methoxyhexoxy)benzene;1-ethenyl-4-(8-methoxyoctoxy)benzene;1-ethenyl-4-propoxybenzene;3-methoxybicyclo[4.2.0]octa-1(6),2,4-triene;3-(4-methoxybutoxy)bicyclo[4.2.0]octa-1(6),2,4-triene is C=Cc1ccc(OCCC)cc1.C=Cc1ccc(OCCCC)cc1.C=Cc1ccc(OCCCCCCCCOC)cc1.C=Cc1ccc(OCCCCOC)cc1.C=Cc1cccc(OCCCCCCOC)c1.COCCCCOc1ccc2c(c1)CC2.COc1ccc2c(c1)CC2.
What is the InChIKey of 1-butoxy-4-ethenylbenzene;1-ethenyl-4-(4-methoxybutoxy)benzene;1-ethenyl-3-(6-methoxyhexoxy)benzene;1-ethenyl-4-(8-methoxyoctoxy)benzene;1-ethenyl-4-propoxybenzene;3-methoxybicyclo[4.2.0]octa-1(6),2,4-triene;3-(4-methoxybutoxy)bicyclo[4.2.0]octa-1(6),2,4-triene?
The InChIKey is MLSYAHSYCHNUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2.C15H22O2.2C13H18O2.C12H16O.C11H14O.C9H10O/c1-3-16-10-12-17(13-11-16)19-15-9-7-5-4-6-8-14-18-2;1-3-14-9-8-10-15(13-14)17-12-7-5-4-6-11-16-2;1-14-8-2-3-9-15-13-7-6-11-4-5-12(11)10-13;1-3-12-6-8-13(9-7-12)15-11-5-4-10-14-2;1-3-5-10-13-12-8-6-11(4-2)7-9-12;1-3-9-12-11-7-5-10(4-2)6-8-11;1-10-9-5-4-7-2-3-8(7)6-9/h3,10-13H,1,4-9,14-15H2,2H3;3,8-10,13H,1,4-7,11-12H2,2H3;6-7,10H,2-5,8-9H2,1H3;3,6-9H,1,4-5,10-11H2,2H3;4,6-9H,2-3,5,10H2,1H3;4-8H,2-3,9H2,1H3;4-6H,2-3H2,1H3.
What are the key properties of 1-butoxy-4-ethenylbenzene;1-ethenyl-4-(4-methoxybutoxy)benzene;1-ethenyl-3-(6-methoxyhexoxy)benzene;1-ethenyl-4-(8-methoxyoctoxy)benzene;1-ethenyl-4-propoxybenzene;3-methoxybicyclo[4.2.0]octa-1(6),2,4-triene;3-(4-methoxybutoxy)bicyclo[4.2.0]octa-1(6),2,4-triene?
1-butoxy-4-ethenylbenzene;1-ethenyl-4-(4-methoxybutoxy)benzene;1-ethenyl-3-(6-methoxyhexoxy)benzene;1-ethenyl-4-(8-methoxyoctoxy)benzene;1-ethenyl-4-propoxybenzene;3-methoxybicyclo[4.2.0]octa-1(6),2,4-triene;3-(4-methoxybutoxy)bicyclo[4.2.0]octa-1(6),2,4-triene has a molecular weight of 1381.97 g/mol, XLogP of 22.76, 43 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxy-4-ethenylbenzene;1-ethenyl-4-(4-methoxybutoxy)benzene;1-ethenyl-3-(6-methoxyhexoxy)benzene;1-ethenyl-4-(8-methoxyoctoxy)benzene;1-ethenyl-4-propoxybenzene;3-methoxybicyclo[4.2.0]octa-1(6),2,4-triene;3-(4-methoxybutoxy)bicyclo[4.2.0]octa-1(6),2,4-triene is sourced from PubChem (CID 159603141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).