4-cyclohexyl-4-(4-cyclohexylpentyl)cyclohexan-1-ol

C23H42O — CID 70449341

IUPAC4-cyclohexyl-4-(4-cyclohexylpentyl)cyclohexan-1-ol
SMILESCC(CCCC1(C2CCCCC2)CCC(O)CC1)C1CCCCC1
InChIInChI=1S/C23H42O/c1-19(20-10-4-2-5-11-20)9-8-16-23(17-14-22(24)15-18-23)21-12-6-3-7-13-21/h19-22,24H,2-18H2,1H3
InChIKeyXMBKHUUPBDBKER-UHFFFAOYSA-N
MW334.59 g/mol
LogP6.87
Rot. Bonds6

About 4-cyclohexyl-4-(4-cyclohexylpentyl)cyclohexan-1-ol

4-cyclohexyl-4-(4-cyclohexylpentyl)cyclohexan-1-ol (PubChem CID 70449341) has the molecular formula C23H42O and a molecular weight of 334.59 g/mol. Its IUPAC name is 4-cyclohexyl-4-(4-cyclohexylpentyl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-cyclohexyl-4-(4-cyclohexylpentyl)cyclohexan-1-ol
PubChem CID70449341
Molecular FormulaC23H42O
Molecular Weight334.59 g/mol
Exact Mass334.32
IUPAC Name4-cyclohexyl-4-(4-cyclohexylpentyl)cyclohexan-1-ol
SMILESCC(CCCC1(C2CCCCC2)CCC(O)CC1)C1CCCCC1
InChIInChI=1S/C23H42O/c1-19(20-10-4-2-5-11-20)9-8-16-23(17-14-22(24)15-18-23)21-12-6-3-7-13-21/h19-22,24H,2-18H2,1H3
InChIKeyXMBKHUUPBDBKER-UHFFFAOYSA-N
XLogP6.87
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.59
LogP ≤ 56.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S,7S)-1-(4-methylpentyl)bicyclo[5.2.0]nonane
CID 90760848
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1-butyl-1-cyclohexyl-4-methylcyclohexane
CID 139676896
5-cyclopentylhexanoic acid
CID 69016722
butane;pentan-2-ylcyclohexane
CID 143682251
ethane;pentan-2-ylcyclohexane
CID 143225886
1-cyclohexyl-1-(3-methoxypropyl)cyclohexane
CID 142637156
(2R)-2-cyclohexylpropan-1-ol
CID 10176192
4-butyl-4-cyclohexylcyclohexane-1-carbonitrile
CID 143135178
diethyl 2-(5-cyclopentylhexyl)propanedioate
CID 70540896
4-ethyl-4-(4-hydroxycyclohexyl)cyclohexan-1-ol
CID 123385352

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-4-(4-cyclohexylpentyl)cyclohexan-1-ol?
The IUPAC name of 4-cyclohexyl-4-(4-cyclohexylpentyl)cyclohexan-1-ol (CID 70449341) is 4-cyclohexyl-4-(4-cyclohexylpentyl)cyclohexan-1-ol.
What is the SMILES notation for 4-cyclohexyl-4-(4-cyclohexylpentyl)cyclohexan-1-ol?
The canonical SMILES for 4-cyclohexyl-4-(4-cyclohexylpentyl)cyclohexan-1-ol is CC(CCCC1(C2CCCCC2)CCC(O)CC1)C1CCCCC1.
What is the InChIKey of 4-cyclohexyl-4-(4-cyclohexylpentyl)cyclohexan-1-ol?
The InChIKey is XMBKHUUPBDBKER-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H42O/c1-19(20-10-4-2-5-11-20)9-8-16-23(17-14-22(24)15-18-23)21-12-6-3-7-13-21/h19-22,24H,2-18H2,1H3.
What are the key properties of 4-cyclohexyl-4-(4-cyclohexylpentyl)cyclohexan-1-ol?
4-cyclohexyl-4-(4-cyclohexylpentyl)cyclohexan-1-ol has a molecular weight of 334.59 g/mol, XLogP of 6.87, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-4-(4-cyclohexylpentyl)cyclohexan-1-ol is sourced from PubChem (CID 70449341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).