4-(4-pentylcyclohexyl)cyclohexan-1-ol

C17H32O — CID 3126233

IUPAC4-(4-pentylcyclohexyl)cyclohexan-1-ol
SMILESCCCCCC1CCC(C2CCC(O)CC2)CC1
InChIInChI=1S/C17H32O/c1-2-3-4-5-14-6-8-15(9-7-14)16-10-12-17(18)13-11-16/h14-18H,2-13H2,1H3
InChIKeyLGORKSSOIBSSJH-UHFFFAOYSA-N
MW252.44 g/mol
LogP4.92
Rot. Bonds5

About 4-(4-pentylcyclohexyl)cyclohexan-1-ol

4-(4-pentylcyclohexyl)cyclohexan-1-ol (PubChem CID 3126233) has the molecular formula C17H32O and a molecular weight of 252.44 g/mol. Its IUPAC name is 4-(4-pentylcyclohexyl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(4-pentylcyclohexyl)cyclohexan-1-ol
PubChem CID3126233
Molecular FormulaC17H32O
Molecular Weight252.44 g/mol
Exact Mass252.25
IUPAC Name4-(4-pentylcyclohexyl)cyclohexan-1-ol
SMILESCCCCCC1CCC(C2CCC(O)CC2)CC1
InChIInChI=1S/C17H32O/c1-2-3-4-5-14-6-8-15(9-7-14)16-10-12-17(18)13-11-16/h14-18H,2-13H2,1H3
InChIKeyLGORKSSOIBSSJH-UHFFFAOYSA-N
XLogP4.92
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.44
LogP ≤ 54.92
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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Frequently Asked Questions

What is the IUPAC name of 4-(4-pentylcyclohexyl)cyclohexan-1-ol?
The IUPAC name of 4-(4-pentylcyclohexyl)cyclohexan-1-ol (CID 3126233) is 4-(4-pentylcyclohexyl)cyclohexan-1-ol.
What is the SMILES notation for 4-(4-pentylcyclohexyl)cyclohexan-1-ol?
The canonical SMILES for 4-(4-pentylcyclohexyl)cyclohexan-1-ol is CCCCCC1CCC(C2CCC(O)CC2)CC1.
What is the InChIKey of 4-(4-pentylcyclohexyl)cyclohexan-1-ol?
The InChIKey is LGORKSSOIBSSJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O/c1-2-3-4-5-14-6-8-15(9-7-14)16-10-12-17(18)13-11-16/h14-18H,2-13H2,1H3.
What are the key properties of 4-(4-pentylcyclohexyl)cyclohexan-1-ol?
4-(4-pentylcyclohexyl)cyclohexan-1-ol has a molecular weight of 252.44 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-pentylcyclohexyl)cyclohexan-1-ol is sourced from PubChem (CID 3126233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).