4-[1-(4-hydroxycyclohexyl)decyl]cyclohexan-1-ol

C22H42O2 — CID 150695272

IUPAC4-[1-(4-hydroxycyclohexyl)decyl]cyclohexan-1-ol
SMILESCCCCCCCCCC(C1CCC(O)CC1)C1CCC(O)CC1
InChIInChI=1S/C22H42O2/c1-2-3-4-5-6-7-8-9-22(18-10-14-20(23)15-11-18)19-12-16-21(24)17-13-19/h18-24H,2-17H2,1H3
InChIKeyJKSHRHYFERWLNK-UHFFFAOYSA-N
MW338.58 g/mol
LogP5.85
Rot. Bonds10

About 4-[1-(4-hydroxycyclohexyl)decyl]cyclohexan-1-ol

4-[1-(4-hydroxycyclohexyl)decyl]cyclohexan-1-ol (PubChem CID 150695272) has the molecular formula C22H42O2 and a molecular weight of 338.58 g/mol. Its IUPAC name is 4-[1-(4-hydroxycyclohexyl)decyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[1-(4-hydroxycyclohexyl)decyl]cyclohexan-1-ol
PubChem CID150695272
Molecular FormulaC22H42O2
Molecular Weight338.58 g/mol
Exact Mass338.32
IUPAC Name4-[1-(4-hydroxycyclohexyl)decyl]cyclohexan-1-ol
SMILESCCCCCCCCCC(C1CCC(O)CC1)C1CCC(O)CC1
InChIInChI=1S/C22H42O2/c1-2-3-4-5-6-7-8-9-22(18-10-14-20(23)15-11-18)19-12-16-21(24)17-13-19/h18-24H,2-17H2,1H3
InChIKeyJKSHRHYFERWLNK-UHFFFAOYSA-N
XLogP5.85
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.58
LogP ≤ 55.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopropyloctylcyclopropane
CID 141276542
4-[1-(4-aminocyclohexyl)decyl]cyclohexan-1-amine
CID 150327650
1-cyclohexylheptylcyclohexane
CID 16404
1-cycloheptyldecylcycloheptane
CID 20559033
2-(1-cyclopropylheptyl)-1,3-dimethylcyclobutane
CID 123861215
1-cyclopropylpentylcycloheptane
CID 91177068
1-cyclopropylheptan-1-ol
CID 10909821
1-cyclopropyltetradecan-1-ol
CID 63461268
1-cyclopropyltridecan-1-ol
CID 63410999
1-cyclohexyldecylcyclohexane;isocyanic acid
CID 172810256
4-[1-(4-hydroxy-3-phenylcyclohexyl)heptyl]-2-phenylcyclohexan-1-ol
CID 139824958
octan-2-ylcyclopropane
CID 18968125

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-hydroxycyclohexyl)decyl]cyclohexan-1-ol?
The IUPAC name of 4-[1-(4-hydroxycyclohexyl)decyl]cyclohexan-1-ol (CID 150695272) is 4-[1-(4-hydroxycyclohexyl)decyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[1-(4-hydroxycyclohexyl)decyl]cyclohexan-1-ol?
The canonical SMILES for 4-[1-(4-hydroxycyclohexyl)decyl]cyclohexan-1-ol is CCCCCCCCCC(C1CCC(O)CC1)C1CCC(O)CC1.
What is the InChIKey of 4-[1-(4-hydroxycyclohexyl)decyl]cyclohexan-1-ol?
The InChIKey is JKSHRHYFERWLNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42O2/c1-2-3-4-5-6-7-8-9-22(18-10-14-20(23)15-11-18)19-12-16-21(24)17-13-19/h18-24H,2-17H2,1H3.
What are the key properties of 4-[1-(4-hydroxycyclohexyl)decyl]cyclohexan-1-ol?
4-[1-(4-hydroxycyclohexyl)decyl]cyclohexan-1-ol has a molecular weight of 338.58 g/mol, XLogP of 5.85, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-hydroxycyclohexyl)decyl]cyclohexan-1-ol is sourced from PubChem (CID 150695272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).