[4-(4-prop-1-enylcyclohexyl)cyclohexyl]methanol

C16H28O — CID 54475864

IUPAC[4-(4-prop-1-enylcyclohexyl)cyclohexyl]methanol
SMILESCC=CC1CCC(C2CCC(CO)CC2)CC1
InChIInChI=1S/C16H28O/c1-2-3-13-4-8-15(9-5-13)16-10-6-14(12-17)7-11-16/h2-3,13-17H,4-12H2,1H3
InChIKeyXLNLMVFOGGSCRC-UHFFFAOYSA-N
MW236.40 g/mol
LogP4.17
Rot. Bonds3

About [4-(4-prop-1-enylcyclohexyl)cyclohexyl]methanol

[4-(4-prop-1-enylcyclohexyl)cyclohexyl]methanol (PubChem CID 54475864) has the molecular formula C16H28O and a molecular weight of 236.40 g/mol. Its IUPAC name is [4-(4-prop-1-enylcyclohexyl)cyclohexyl]methanol.

Molecular Properties

Compound Name[4-(4-prop-1-enylcyclohexyl)cyclohexyl]methanol
PubChem CID54475864
Molecular FormulaC16H28O
Molecular Weight236.40 g/mol
Exact Mass236.21
IUPAC Name[4-(4-prop-1-enylcyclohexyl)cyclohexyl]methanol
SMILESCC=CC1CCC(C2CCC(CO)CC2)CC1
InChIInChI=1S/C16H28O/c1-2-3-13-4-8-15(9-5-13)16-10-6-14(12-17)7-11-16/h2-3,13-17H,4-12H2,1H3
InChIKeyXLNLMVFOGGSCRC-UHFFFAOYSA-N
XLogP4.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-(4-prop-1-enylcyclohexyl)cyclohexyl]methanol?
The IUPAC name of [4-(4-prop-1-enylcyclohexyl)cyclohexyl]methanol (CID 54475864) is [4-(4-prop-1-enylcyclohexyl)cyclohexyl]methanol.
What is the SMILES notation for [4-(4-prop-1-enylcyclohexyl)cyclohexyl]methanol?
The canonical SMILES for [4-(4-prop-1-enylcyclohexyl)cyclohexyl]methanol is CC=CC1CCC(C2CCC(CO)CC2)CC1.
What is the InChIKey of [4-(4-prop-1-enylcyclohexyl)cyclohexyl]methanol?
The InChIKey is XLNLMVFOGGSCRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O/c1-2-3-13-4-8-15(9-5-13)16-10-6-14(12-17)7-11-16/h2-3,13-17H,4-12H2,1H3.
What are the key properties of [4-(4-prop-1-enylcyclohexyl)cyclohexyl]methanol?
[4-(4-prop-1-enylcyclohexyl)cyclohexyl]methanol has a molecular weight of 236.40 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-prop-1-enylcyclohexyl)cyclohexyl]methanol is sourced from PubChem (CID 54475864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).