6-[2,6-dimethyl-1-(2-methylbutan-2-yloxy)octan-4-yl]-3,5-dihydro-2H-cyclohepta[b]furan;methane

C25H44O2 — CID 142121590

IUPAC6-[2,6-dimethyl-1-(2-methylbutan-2-yloxy)octan-4-yl]-3,5-dihydro-2H-cyclohepta[b]furan;methane
SMILESC.CCC(C)CC(CC(C)COC(C)(C)CC)C1=CC=C2OCCC2=CC1
InChIInChI=1S/C24H40O2.CH4/c1-7-18(3)15-22(16-19(4)17-26-24(5,6)8-2)20-9-10-21-13-14-25-23(21)12-11-20;/h10-12,18-19,22H,7-9,13-17H2,1-6H3;1H4
InChIKeyMNOMJQYSPWQRJD-UHFFFAOYSA-N
MW376.63 g/mol
LogP7.47
Rot. Bonds10

About 6-[2,6-dimethyl-1-(2-methylbutan-2-yloxy)octan-4-yl]-3,5-dihydro-2H-cyclohepta[b]furan;methane

6-[2,6-dimethyl-1-(2-methylbutan-2-yloxy)octan-4-yl]-3,5-dihydro-2H-cyclohepta[b]furan;methane (PubChem CID 142121590) has the molecular formula C25H44O2 and a molecular weight of 376.63 g/mol. Its IUPAC name is 6-[2,6-dimethyl-1-(2-methylbutan-2-yloxy)octan-4-yl]-3,5-dihydro-2H-cyclohepta[b]furan;methane.

Molecular Properties

Compound Name6-[2,6-dimethyl-1-(2-methylbutan-2-yloxy)octan-4-yl]-3,5-dihydro-2H-cyclohepta[b]furan;methane
PubChem CID142121590
Molecular FormulaC25H44O2
Molecular Weight376.63 g/mol
Exact Mass376.33
IUPAC Name6-[2,6-dimethyl-1-(2-methylbutan-2-yloxy)octan-4-yl]-3,5-dihydro-2H-cyclohepta[b]furan;methane
SMILESC.CCC(C)CC(CC(C)COC(C)(C)CC)C1=CC=C2OCCC2=CC1
InChIInChI=1S/C24H40O2.CH4/c1-7-18(3)15-22(16-19(4)17-26-24(5,6)8-2)20-9-10-21-13-14-25-23(21)12-11-20;/h10-12,18-19,22H,7-9,13-17H2,1-6H3;1H4
InChIKeyMNOMJQYSPWQRJD-UHFFFAOYSA-N
XLogP7.47
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.63
LogP ≤ 57.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-[2,6-dimethyl-1-(2-methylbutan-2-yloxy)octan-4-yl]-3,5-dihydro-2H-cyclohepta[b]furan;methane with MolForge

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Related Compounds

2-ethoxy-1,6-dimethyl-3-[(E)-3,7,11-trimethylhexadec-11-enyl]cyclohexa-1,3-diene
CID 59271492
2-ethoxy-1,6-dimethyl-3-[(E)-3,7,11-trimethylhexadec-11-enyl]cyclohexa-1,3-diene
CID 59271493
16-(6-Ethoxy-4,5-dimethylcyclohexa-1,5-dien-1-yl)-6,10,14-trimethylhexadecan-6-ol
CID 59271514
16-(6-Ethoxy-4,5-dimethylcyclohexa-1,5-dien-1-yl)-6,10,14-trimethylhexadecan-6-ol
CID 59271515
2-Ethoxy-1,6-dimethyl-3-(3,7,11-trimethylhexadec-11-enyl)cyclohexa-1,3-diene
CID 72266670
1-[(3E)-2,5-dimethylhexa-1,3,5-trien-3-yl]oxy-3,7-dimethyloctane
CID 89001478
(12E)-5-methyl-12-[(Z)-2-methylbut-2-enylidene]-2,11-dimethylidene-6-[(Z)-prop-1-enyl]-7-oxatricyclo[11.4.0.04,8]heptadeca-1(13),5,14-triene
CID 89391744
6-Ethylnona-2,4,6-trien-5-yloxymethylcycloheptane
CID 90927569
5-[[4-[2-(4-ethylcyclohexa-1,5-dien-1-yl)ethenyl]cyclohexyl]methyl]-3,7,8,8a-tetrahydro-2H-cyclohepta[b]furan
CID 90994729
4,11-Dimethyl-3-(2,4,6-trimethyl-5-methylidenehept-3-en-3-yl)-2-oxabicyclo[5.5.0]dodeca-1(7),9-diene
CID 123695075
5-(2-Cyclopentylethoxy)-8-heptyl-1-methyl-1,8a-dihydronaphthalene
CID 123786118
2-(7-Methoxy-4-methylideneocta-5,7-dien-3-yl)oxypropan-2-ylcyclohexane
CID 123800840

Frequently Asked Questions

What is the IUPAC name of 6-[2,6-dimethyl-1-(2-methylbutan-2-yloxy)octan-4-yl]-3,5-dihydro-2H-cyclohepta[b]furan;methane?
The IUPAC name of 6-[2,6-dimethyl-1-(2-methylbutan-2-yloxy)octan-4-yl]-3,5-dihydro-2H-cyclohepta[b]furan;methane (CID 142121590) is 6-[2,6-dimethyl-1-(2-methylbutan-2-yloxy)octan-4-yl]-3,5-dihydro-2H-cyclohepta[b]furan;methane.
What is the SMILES notation for 6-[2,6-dimethyl-1-(2-methylbutan-2-yloxy)octan-4-yl]-3,5-dihydro-2H-cyclohepta[b]furan;methane?
The canonical SMILES for 6-[2,6-dimethyl-1-(2-methylbutan-2-yloxy)octan-4-yl]-3,5-dihydro-2H-cyclohepta[b]furan;methane is C.CCC(C)CC(CC(C)COC(C)(C)CC)C1=CC=C2OCCC2=CC1.
What is the InChIKey of 6-[2,6-dimethyl-1-(2-methylbutan-2-yloxy)octan-4-yl]-3,5-dihydro-2H-cyclohepta[b]furan;methane?
The InChIKey is MNOMJQYSPWQRJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40O2.CH4/c1-7-18(3)15-22(16-19(4)17-26-24(5,6)8-2)20-9-10-21-13-14-25-23(21)12-11-20;/h10-12,18-19,22H,7-9,13-17H2,1-6H3;1H4.
What are the key properties of 6-[2,6-dimethyl-1-(2-methylbutan-2-yloxy)octan-4-yl]-3,5-dihydro-2H-cyclohepta[b]furan;methane?
6-[2,6-dimethyl-1-(2-methylbutan-2-yloxy)octan-4-yl]-3,5-dihydro-2H-cyclohepta[b]furan;methane has a molecular weight of 376.63 g/mol, XLogP of 7.47, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2,6-dimethyl-1-(2-methylbutan-2-yloxy)octan-4-yl]-3,5-dihydro-2H-cyclohepta[b]furan;methane is sourced from PubChem (CID 142121590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).