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

C9H15ClO — CID 57265861

IUPAC2-(1-chloroprop-2-enyl)cyclohexan-1-ol
SMILESC=CC(Cl)C1CCCCC1O
InChIInChI=1S/C9H15ClO/c1-2-8(10)7-5-3-4-6-9(7)11/h2,7-9,11H,1,3-6H2
InChIKeyCKKJLIVTLBKQMF-UHFFFAOYSA-N
MW174.67 g/mol
LogP2.33
Rot. Bonds2

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

2-(1-chloroprop-2-enyl)cyclohexan-1-ol (PubChem CID 57265861) has the molecular formula C9H15ClO and a molecular weight of 174.67 g/mol. Its IUPAC name is 2-(1-chloroprop-2-enyl)cyclohexan-1-ol.

Molecular Properties

Compound Name2-(1-chloroprop-2-enyl)cyclohexan-1-ol
PubChem CID57265861
Molecular FormulaC9H15ClO
Molecular Weight174.67 g/mol
Exact Mass174.08
IUPAC Name2-(1-chloroprop-2-enyl)cyclohexan-1-ol
SMILESC=CC(Cl)C1CCCCC1O
InChIInChI=1S/C9H15ClO/c1-2-8(10)7-5-3-4-6-9(7)11/h2,7-9,11H,1,3-6H2
InChIKeyCKKJLIVTLBKQMF-UHFFFAOYSA-N
XLogP2.33
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 ≤ 52.33
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 2-(1-chloroprop-2-enyl)cyclohexan-1-ol?
The IUPAC name of 2-(1-chloroprop-2-enyl)cyclohexan-1-ol (CID 57265861) is 2-(1-chloroprop-2-enyl)cyclohexan-1-ol.
What is the SMILES notation for 2-(1-chloroprop-2-enyl)cyclohexan-1-ol?
The canonical SMILES for 2-(1-chloroprop-2-enyl)cyclohexan-1-ol is C=CC(Cl)C1CCCCC1O.
What is the InChIKey of 2-(1-chloroprop-2-enyl)cyclohexan-1-ol?
The InChIKey is CKKJLIVTLBKQMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClO/c1-2-8(10)7-5-3-4-6-9(7)11/h2,7-9,11H,1,3-6H2.
What are the key properties of 2-(1-chloroprop-2-enyl)cyclohexan-1-ol?
2-(1-chloroprop-2-enyl)cyclohexan-1-ol has a molecular weight of 174.67 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloroprop-2-enyl)cyclohexan-1-ol is sourced from PubChem (CID 57265861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).