2-cyclohexylpent-4-en-2-ol

C11H20O — CID 15497572

IUPAC2-cyclohexylpent-4-en-2-ol
SMILESC=CCC(C)(O)C1CCCCC1
InChIInChI=1S/C11H20O/c1-3-9-11(2,12)10-7-5-4-6-8-10/h3,10,12H,1,4-9H2,2H3
InChIKeyIJTQPPGROYHQKL-UHFFFAOYSA-N
MW168.28 g/mol
LogP2.89
Rot. Bonds3

About 2-cyclohexylpent-4-en-2-ol

2-cyclohexylpent-4-en-2-ol (PubChem CID 15497572) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 2-cyclohexylpent-4-en-2-ol.

Molecular Properties

Compound Name2-cyclohexylpent-4-en-2-ol
PubChem CID15497572
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name2-cyclohexylpent-4-en-2-ol
SMILESC=CCC(C)(O)C1CCCCC1
InChIInChI=1S/C11H20O/c1-3-9-11(2,12)10-7-5-4-6-8-10/h3,10,12H,1,4-9H2,2H3
InChIKeyIJTQPPGROYHQKL-UHFFFAOYSA-N
XLogP2.89
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.89
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 2-cyclohexylpent-4-en-2-ol?
The IUPAC name of 2-cyclohexylpent-4-en-2-ol (CID 15497572) is 2-cyclohexylpent-4-en-2-ol.
What is the SMILES notation for 2-cyclohexylpent-4-en-2-ol?
The canonical SMILES for 2-cyclohexylpent-4-en-2-ol is C=CCC(C)(O)C1CCCCC1.
What is the InChIKey of 2-cyclohexylpent-4-en-2-ol?
The InChIKey is IJTQPPGROYHQKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-3-9-11(2,12)10-7-5-4-6-8-10/h3,10,12H,1,4-9H2,2H3.
What are the key properties of 2-cyclohexylpent-4-en-2-ol?
2-cyclohexylpent-4-en-2-ol has a molecular weight of 168.28 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylpent-4-en-2-ol is sourced from PubChem (CID 15497572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).