1-(1-chloroprop-2-enyl)cyclohexan-1-ol

C9H15ClO — CID 11805249

IUPAC1-(1-chloroprop-2-enyl)cyclohexan-1-ol
SMILESC=CC(Cl)C1(O)CCCCC1
InChIInChI=1S/C9H15ClO/c1-2-8(10)9(11)6-4-3-5-7-9/h2,8,11H,1,3-7H2
InChIKeyHYCYMNKVNAMXBR-UHFFFAOYSA-N
MW174.67 g/mol
LogP2.47
Rot. Bonds2

About 1-(1-chloroprop-2-enyl)cyclohexan-1-ol

1-(1-chloroprop-2-enyl)cyclohexan-1-ol (PubChem CID 11805249) has the molecular formula C9H15ClO and a molecular weight of 174.67 g/mol. Its IUPAC name is 1-(1-chloroprop-2-enyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(1-chloroprop-2-enyl)cyclohexan-1-ol
PubChem CID11805249
Molecular FormulaC9H15ClO
Molecular Weight174.67 g/mol
Exact Mass174.08
IUPAC Name1-(1-chloroprop-2-enyl)cyclohexan-1-ol
SMILESC=CC(Cl)C1(O)CCCCC1
InChIInChI=1S/C9H15ClO/c1-2-8(10)9(11)6-4-3-5-7-9/h2,8,11H,1,3-7H2
InChIKeyHYCYMNKVNAMXBR-UHFFFAOYSA-N
XLogP2.47
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 ≤ 52.47
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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(1-chloroprop-2-enyl)cyclohexan-1-ol?
The IUPAC name of 1-(1-chloroprop-2-enyl)cyclohexan-1-ol (CID 11805249) is 1-(1-chloroprop-2-enyl)cyclohexan-1-ol.
What is the SMILES notation for 1-(1-chloroprop-2-enyl)cyclohexan-1-ol?
The canonical SMILES for 1-(1-chloroprop-2-enyl)cyclohexan-1-ol is C=CC(Cl)C1(O)CCCCC1.
What is the InChIKey of 1-(1-chloroprop-2-enyl)cyclohexan-1-ol?
The InChIKey is HYCYMNKVNAMXBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClO/c1-2-8(10)9(11)6-4-3-5-7-9/h2,8,11H,1,3-7H2.
What are the key properties of 1-(1-chloroprop-2-enyl)cyclohexan-1-ol?
1-(1-chloroprop-2-enyl)cyclohexan-1-ol has a molecular weight of 174.67 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-chloroprop-2-enyl)cyclohexan-1-ol is sourced from PubChem (CID 11805249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).