1-decyl-4-[4-(4-methylcyclohexyl)cyclohexa-1,5-dien-1-yl]benzene

C29H44 — CID 19005633

IUPAC1-decyl-4-[4-(4-methylcyclohexyl)cyclohexa-1,5-dien-1-yl]benzene
SMILESCCCCCCCCCCc1ccc(C2=CCC(C3CCC(C)CC3)C=C2)cc1
InChIInChI=1S/C29H44/c1-3-4-5-6-7-8-9-10-11-25-14-18-27(19-15-25)29-22-20-28(21-23-29)26-16-12-24(2)13-17-26/h14-15,18-20,22-24,26,28H,3-13,16-17,21H2,1-2H3
InChIKeyOALATXRSYHOEET-UHFFFAOYSA-N
MW392.67 g/mol
LogP9.16
Rot. Bonds11

About 1-decyl-4-[4-(4-methylcyclohexyl)cyclohexa-1,5-dien-1-yl]benzene

1-decyl-4-[4-(4-methylcyclohexyl)cyclohexa-1,5-dien-1-yl]benzene (PubChem CID 19005633) has the molecular formula C29H44 and a molecular weight of 392.67 g/mol. Its IUPAC name is 1-decyl-4-[4-(4-methylcyclohexyl)cyclohexa-1,5-dien-1-yl]benzene.

Molecular Properties

Compound Name1-decyl-4-[4-(4-methylcyclohexyl)cyclohexa-1,5-dien-1-yl]benzene
PubChem CID19005633
Molecular FormulaC29H44
Molecular Weight392.67 g/mol
Exact Mass392.34
IUPAC Name1-decyl-4-[4-(4-methylcyclohexyl)cyclohexa-1,5-dien-1-yl]benzene
SMILESCCCCCCCCCCc1ccc(C2=CCC(C3CCC(C)CC3)C=C2)cc1
InChIInChI=1S/C29H44/c1-3-4-5-6-7-8-9-10-11-25-14-18-27(19-15-25)29-22-20-28(21-23-29)26-16-12-24(2)13-17-26/h14-15,18-20,22-24,26,28H,3-13,16-17,21H2,1-2H3
InChIKeyOALATXRSYHOEET-UHFFFAOYSA-N
XLogP9.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.67
LogP ≤ 59.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(4-hexylcyclohexyl)cyclohexa-1,5-dien-1-yl]-4-octylbenzene
CID 19005566
1-bromo-4-[4-(4-hexylcyclohexyl)cyclohexa-1,5-dien-1-yl]benzene
CID 19005697
4-[4-(4-methylcyclohexyl)cyclohexa-1,5-dien-1-yl]benzonitrile
CID 19005313
1-decoxy-4-[4-(4-octylcyclohexyl)cyclohexa-1,5-dien-1-yl]benzene
CID 19005373
[4-(4-butylcyclohexyl)cyclohexa-1,5-dien-1-yl]benzene
CID 19005523
1-cyclohexa-1,5-dien-1-yl-4-heptylbenzene
CID 145496563
1-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]-4-pentylbenzene
CID 59931186
1-decyl-2,3-difluoro-4-[4-(4-hexylcyclohexyl)cyclohexa-1,5-dien-1-yl]benzene
CID 19005440
2-(4-decylcyclohexyl)-5-(4-methylcyclohexyl)cyclohexa-1,3-diene
CID 139627529
1-octyl-4-(4-octylphenyl)benzene
CID 22766415
1,2-difluoro-4-[4-(4-propylcyclohexyl)cyclohexa-1,5-dien-1-yl]benzene
CID 19005327
1-bromo-4-(4-hexylcyclohexa-1,5-dien-1-yl)benzene
CID 19005410

Frequently Asked Questions

What is the IUPAC name of 1-decyl-4-[4-(4-methylcyclohexyl)cyclohexa-1,5-dien-1-yl]benzene?
The IUPAC name of 1-decyl-4-[4-(4-methylcyclohexyl)cyclohexa-1,5-dien-1-yl]benzene (CID 19005633) is 1-decyl-4-[4-(4-methylcyclohexyl)cyclohexa-1,5-dien-1-yl]benzene.
What is the SMILES notation for 1-decyl-4-[4-(4-methylcyclohexyl)cyclohexa-1,5-dien-1-yl]benzene?
The canonical SMILES for 1-decyl-4-[4-(4-methylcyclohexyl)cyclohexa-1,5-dien-1-yl]benzene is CCCCCCCCCCc1ccc(C2=CCC(C3CCC(C)CC3)C=C2)cc1.
What is the InChIKey of 1-decyl-4-[4-(4-methylcyclohexyl)cyclohexa-1,5-dien-1-yl]benzene?
The InChIKey is OALATXRSYHOEET-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H44/c1-3-4-5-6-7-8-9-10-11-25-14-18-27(19-15-25)29-22-20-28(21-23-29)26-16-12-24(2)13-17-26/h14-15,18-20,22-24,26,28H,3-13,16-17,21H2,1-2H3.
What are the key properties of 1-decyl-4-[4-(4-methylcyclohexyl)cyclohexa-1,5-dien-1-yl]benzene?
1-decyl-4-[4-(4-methylcyclohexyl)cyclohexa-1,5-dien-1-yl]benzene has a molecular weight of 392.67 g/mol, XLogP of 9.16, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-decyl-4-[4-(4-methylcyclohexyl)cyclohexa-1,5-dien-1-yl]benzene is sourced from PubChem (CID 19005633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).