3-(2-chloropropyl)cyclohexene

C9H15Cl — CID 13310731

IUPAC3-(2-chloropropyl)cyclohexene
SMILESCC(Cl)CC1C=CCCC1
InChIInChI=1S/C9H15Cl/c1-8(10)7-9-5-3-2-4-6-9/h3,5,8-9H,2,4,6-7H2,1H3
InChIKeyWJAXOCCOWNXHNF-UHFFFAOYSA-N
MW158.67 g/mol
LogP3.36
Rot. Bonds2

About 3-(2-chloropropyl)cyclohexene

3-(2-chloropropyl)cyclohexene (PubChem CID 13310731) has the molecular formula C9H15Cl and a molecular weight of 158.67 g/mol. Its IUPAC name is 3-(2-chloropropyl)cyclohexene.

Molecular Properties

Compound Name3-(2-chloropropyl)cyclohexene
PubChem CID13310731
Molecular FormulaC9H15Cl
Molecular Weight158.67 g/mol
Exact Mass158.09
IUPAC Name3-(2-chloropropyl)cyclohexene
SMILESCC(Cl)CC1C=CCCC1
InChIInChI=1S/C9H15Cl/c1-8(10)7-9-5-3-2-4-6-9/h3,5,8-9H,2,4,6-7H2,1H3
InChIKeyWJAXOCCOWNXHNF-UHFFFAOYSA-N
XLogP3.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.67
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 3-(2-chloropropyl)cyclohexene?
The IUPAC name of 3-(2-chloropropyl)cyclohexene (CID 13310731) is 3-(2-chloropropyl)cyclohexene.
What is the SMILES notation for 3-(2-chloropropyl)cyclohexene?
The canonical SMILES for 3-(2-chloropropyl)cyclohexene is CC(Cl)CC1C=CCCC1.
What is the InChIKey of 3-(2-chloropropyl)cyclohexene?
The InChIKey is WJAXOCCOWNXHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15Cl/c1-8(10)7-9-5-3-2-4-6-9/h3,5,8-9H,2,4,6-7H2,1H3.
What are the key properties of 3-(2-chloropropyl)cyclohexene?
3-(2-chloropropyl)cyclohexene has a molecular weight of 158.67 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloropropyl)cyclohexene is sourced from PubChem (CID 13310731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).