1-[(E)-3-chloroprop-1-enyl]cyclohexan-1-ol

C9H15ClO — CID 23339585

IUPAC1-[(E)-3-chloroprop-1-enyl]cyclohexan-1-ol
SMILESOC1(/C=C/CCl)CCCCC1
InChIInChI=1S/C9H15ClO/c10-8-4-7-9(11)5-2-1-3-6-9/h4,7,11H,1-3,5-6,8H2/b7-4+
InChIKeyGAQRSHRGAOZKFI-QPJJXVBHSA-N
MW174.67 g/mol
LogP2.48
Rot. Bonds2

About 1-[(E)-3-chloroprop-1-enyl]cyclohexan-1-ol

1-[(E)-3-chloroprop-1-enyl]cyclohexan-1-ol (PubChem CID 23339585) has the molecular formula C9H15ClO and a molecular weight of 174.67 g/mol. Its IUPAC name is 1-[(E)-3-chloroprop-1-enyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[(E)-3-chloroprop-1-enyl]cyclohexan-1-ol
PubChem CID23339585
Molecular FormulaC9H15ClO
Molecular Weight174.67 g/mol
Exact Mass174.08
IUPAC Name1-[(E)-3-chloroprop-1-enyl]cyclohexan-1-ol
SMILESOC1(/C=C/CCl)CCCCC1
InChIInChI=1S/C9H15ClO/c10-8-4-7-9(11)5-2-1-3-6-9/h4,7,11H,1-3,5-6,8H2/b7-4+
InChIKeyGAQRSHRGAOZKFI-QPJJXVBHSA-N
XLogP2.48
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.67
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', '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)-3-chloroprop-1-enyl]cyclohexan-1-ol?
The IUPAC name of 1-[(E)-3-chloroprop-1-enyl]cyclohexan-1-ol (CID 23339585) is 1-[(E)-3-chloroprop-1-enyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[(E)-3-chloroprop-1-enyl]cyclohexan-1-ol?
The canonical SMILES for 1-[(E)-3-chloroprop-1-enyl]cyclohexan-1-ol is OC1(/C=C/CCl)CCCCC1.
What is the InChIKey of 1-[(E)-3-chloroprop-1-enyl]cyclohexan-1-ol?
The InChIKey is GAQRSHRGAOZKFI-QPJJXVBHSA-N. The full InChI is InChI=1S/C9H15ClO/c10-8-4-7-9(11)5-2-1-3-6-9/h4,7,11H,1-3,5-6,8H2/b7-4+.
What are the key properties of 1-[(E)-3-chloroprop-1-enyl]cyclohexan-1-ol?
1-[(E)-3-chloroprop-1-enyl]cyclohexan-1-ol has a molecular weight of 174.67 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-chloroprop-1-enyl]cyclohexan-1-ol is sourced from PubChem (CID 23339585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).