1-[(E)-hex-1-enyl]cyclohexan-1-ol

C12H22O — CID 5352482

IUPAC1-[(E)-hex-1-enyl]cyclohexan-1-ol
SMILESCCCC/C=C/C1(O)CCCCC1
InChIInChI=1S/C12H22O/c1-2-3-4-6-9-12(13)10-7-5-8-11-12/h6,9,13H,2-5,7-8,10-11H2,1H3/b9-6+
InChIKeyICOITBGCXKPDQU-RMKNXTFCSA-N
MW182.31 g/mol
LogP3.43
Rot. Bonds4

About 1-[(E)-hex-1-enyl]cyclohexan-1-ol

1-[(E)-hex-1-enyl]cyclohexan-1-ol (PubChem CID 5352482) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 1-[(E)-hex-1-enyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[(E)-hex-1-enyl]cyclohexan-1-ol
PubChem CID5352482
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name1-[(E)-hex-1-enyl]cyclohexan-1-ol
SMILESCCCC/C=C/C1(O)CCCCC1
InChIInChI=1S/C12H22O/c1-2-3-4-6-9-12(13)10-7-5-8-11-12/h6,9,13H,2-5,7-8,10-11H2,1H3/b9-6+
InChIKeyICOITBGCXKPDQU-RMKNXTFCSA-N
XLogP3.43
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-hex-1-enyl]cyclohexan-1-ol?
The IUPAC name of 1-[(E)-hex-1-enyl]cyclohexan-1-ol (CID 5352482) is 1-[(E)-hex-1-enyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[(E)-hex-1-enyl]cyclohexan-1-ol?
The canonical SMILES for 1-[(E)-hex-1-enyl]cyclohexan-1-ol is CCCC/C=C/C1(O)CCCCC1.
What is the InChIKey of 1-[(E)-hex-1-enyl]cyclohexan-1-ol?
The InChIKey is ICOITBGCXKPDQU-RMKNXTFCSA-N. The full InChI is InChI=1S/C12H22O/c1-2-3-4-6-9-12(13)10-7-5-8-11-12/h6,9,13H,2-5,7-8,10-11H2,1H3/b9-6+.
What are the key properties of 1-[(E)-hex-1-enyl]cyclohexan-1-ol?
1-[(E)-hex-1-enyl]cyclohexan-1-ol has a molecular weight of 182.31 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-hex-1-enyl]cyclohexan-1-ol is sourced from PubChem (CID 5352482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).