1-chloro-2-(1-chloropropyl)cyclohexene

C9H14Cl2 — CID 14184402

IUPAC1-chloro-2-(1-chloropropyl)cyclohexene
SMILESCCC(Cl)C1=C(Cl)CCCC1
InChIInChI=1S/C9H14Cl2/c1-2-8(10)7-5-3-4-6-9(7)11/h8H,2-6H2,1H3
InChIKeyJFWCMWDSJDVMPE-UHFFFAOYSA-N
MW193.12 g/mol
LogP4.07
Rot. Bonds2

About 1-chloro-2-(1-chloropropyl)cyclohexene

1-chloro-2-(1-chloropropyl)cyclohexene (PubChem CID 14184402) has the molecular formula C9H14Cl2 and a molecular weight of 193.12 g/mol. Its IUPAC name is 1-chloro-2-(1-chloropropyl)cyclohexene.

Molecular Properties

Compound Name1-chloro-2-(1-chloropropyl)cyclohexene
PubChem CID14184402
Molecular FormulaC9H14Cl2
Molecular Weight193.12 g/mol
Exact Mass192.05
IUPAC Name1-chloro-2-(1-chloropropyl)cyclohexene
SMILESCCC(Cl)C1=C(Cl)CCCC1
InChIInChI=1S/C9H14Cl2/c1-2-8(10)7-5-3-4-6-9(7)11/h8H,2-6H2,1H3
InChIKeyJFWCMWDSJDVMPE-UHFFFAOYSA-N
XLogP4.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.12
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-(1-chloropropyl)cyclohexene?
The IUPAC name of 1-chloro-2-(1-chloropropyl)cyclohexene (CID 14184402) is 1-chloro-2-(1-chloropropyl)cyclohexene.
What is the SMILES notation for 1-chloro-2-(1-chloropropyl)cyclohexene?
The canonical SMILES for 1-chloro-2-(1-chloropropyl)cyclohexene is CCC(Cl)C1=C(Cl)CCCC1.
What is the InChIKey of 1-chloro-2-(1-chloropropyl)cyclohexene?
The InChIKey is JFWCMWDSJDVMPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14Cl2/c1-2-8(10)7-5-3-4-6-9(7)11/h8H,2-6H2,1H3.
What are the key properties of 1-chloro-2-(1-chloropropyl)cyclohexene?
1-chloro-2-(1-chloropropyl)cyclohexene has a molecular weight of 193.12 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-(1-chloropropyl)cyclohexene is sourced from PubChem (CID 14184402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).