1,4-bis(7-methyloctyl)cyclohexa-2,4-dien-1-ol

C24H44O — CID 163529899

IUPAC1,4-bis(7-methyloctyl)cyclohexa-2,4-dien-1-ol
SMILESCC(C)CCCCCCC1=CCC(O)(CCCCCCC(C)C)C=C1
InChIInChI=1S/C24H44O/c1-21(2)13-9-5-6-11-15-23-16-19-24(25,20-17-23)18-12-8-7-10-14-22(3)4/h16-17,19,21-22,25H,5-15,18,20H2,1-4H3
InChIKeyDSAXSXCDJBQSOE-UHFFFAOYSA-N
MW348.62 g/mol
LogP7.60
Rot. Bonds14

About 1,4-bis(7-methyloctyl)cyclohexa-2,4-dien-1-ol

1,4-bis(7-methyloctyl)cyclohexa-2,4-dien-1-ol (PubChem CID 163529899) has the molecular formula C24H44O and a molecular weight of 348.62 g/mol. Its IUPAC name is 1,4-bis(7-methyloctyl)cyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name1,4-bis(7-methyloctyl)cyclohexa-2,4-dien-1-ol
PubChem CID163529899
Molecular FormulaC24H44O
Molecular Weight348.62 g/mol
Exact Mass348.34
IUPAC Name1,4-bis(7-methyloctyl)cyclohexa-2,4-dien-1-ol
SMILESCC(C)CCCCCCC1=CCC(O)(CCCCCCC(C)C)C=C1
InChIInChI=1S/C24H44O/c1-21(2)13-9-5-6-11-15-23-16-19-24(25,20-17-23)18-12-8-7-10-14-22(3)4/h16-17,19,21-22,25H,5-15,18,20H2,1-4H3
InChIKeyDSAXSXCDJBQSOE-UHFFFAOYSA-N
XLogP7.60
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.62
LogP ≤ 57.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 118959166
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CID 90832569
2-(6-methylheptyl)benzene-1,3,5-triol
CID 22165808
2,22-dimethyltricosane
CID 58100191
2,9-dimethyldecane;2,11-dimethyldodecane;2,8-dimethylnonane;2,7-dimethyloctane;2,10-dimethylundecane
CID 161261647
1-(8-methylnonyl)-4-pentylbenzene
CID 158864216
1,4-bis(8-methylnonyl)benzene;phosphorous acid
CID 175244550
1-(6-methylheptyl)-4-pentylbenzene
CID 158425503
2-hydroxy-5-(10-methylundecyl)benzoic acid
CID 22256247
1-(4-methylpentyl)cyclohex-3-en-1-ol
CID 66608445
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CID 70349425

Frequently Asked Questions

What is the IUPAC name of 1,4-bis(7-methyloctyl)cyclohexa-2,4-dien-1-ol?
The IUPAC name of 1,4-bis(7-methyloctyl)cyclohexa-2,4-dien-1-ol (CID 163529899) is 1,4-bis(7-methyloctyl)cyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 1,4-bis(7-methyloctyl)cyclohexa-2,4-dien-1-ol?
The canonical SMILES for 1,4-bis(7-methyloctyl)cyclohexa-2,4-dien-1-ol is CC(C)CCCCCCC1=CCC(O)(CCCCCCC(C)C)C=C1.
What is the InChIKey of 1,4-bis(7-methyloctyl)cyclohexa-2,4-dien-1-ol?
The InChIKey is DSAXSXCDJBQSOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H44O/c1-21(2)13-9-5-6-11-15-23-16-19-24(25,20-17-23)18-12-8-7-10-14-22(3)4/h16-17,19,21-22,25H,5-15,18,20H2,1-4H3.
What are the key properties of 1,4-bis(7-methyloctyl)cyclohexa-2,4-dien-1-ol?
1,4-bis(7-methyloctyl)cyclohexa-2,4-dien-1-ol has a molecular weight of 348.62 g/mol, XLogP of 7.60, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(7-methyloctyl)cyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 163529899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).