3-chloro-2-(chloromethyl)hex-1-ene

C7H12Cl2 — CID 24972007

IUPAC3-chloro-2-(chloromethyl)hex-1-ene
SMILESC=C(CCl)C(Cl)CCC
InChIInChI=1S/C7H12Cl2/c1-3-4-7(9)6(2)5-8/h7H,2-5H2,1H3
InChIKeyWOQWJGPLJPOIOS-UHFFFAOYSA-N
MW167.08 g/mol
LogP3.19
Rot. Bonds4

About 3-chloro-2-(chloromethyl)hex-1-ene

3-chloro-2-(chloromethyl)hex-1-ene (PubChem CID 24972007) has the molecular formula C7H12Cl2 and a molecular weight of 167.08 g/mol. Its IUPAC name is 3-chloro-2-(chloromethyl)hex-1-ene.

Molecular Properties

Compound Name3-chloro-2-(chloromethyl)hex-1-ene
PubChem CID24972007
Molecular FormulaC7H12Cl2
Molecular Weight167.08 g/mol
Exact Mass166.03
IUPAC Name3-chloro-2-(chloromethyl)hex-1-ene
SMILESC=C(CCl)C(Cl)CCC
InChIInChI=1S/C7H12Cl2/c1-3-4-7(9)6(2)5-8/h7H,2-5H2,1H3
InChIKeyWOQWJGPLJPOIOS-UHFFFAOYSA-N
XLogP3.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.08
LogP ≤ 53.19
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-chloro-2-(chloromethyl)hex-1-ene?
The IUPAC name of 3-chloro-2-(chloromethyl)hex-1-ene (CID 24972007) is 3-chloro-2-(chloromethyl)hex-1-ene.
What is the SMILES notation for 3-chloro-2-(chloromethyl)hex-1-ene?
The canonical SMILES for 3-chloro-2-(chloromethyl)hex-1-ene is C=C(CCl)C(Cl)CCC.
What is the InChIKey of 3-chloro-2-(chloromethyl)hex-1-ene?
The InChIKey is WOQWJGPLJPOIOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12Cl2/c1-3-4-7(9)6(2)5-8/h7H,2-5H2,1H3.
What are the key properties of 3-chloro-2-(chloromethyl)hex-1-ene?
3-chloro-2-(chloromethyl)hex-1-ene has a molecular weight of 167.08 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(chloromethyl)hex-1-ene is sourced from PubChem (CID 24972007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).