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

C7H12Cl2 — CID 23451716

IUPAC(Z)-1-chloro-3-(chloromethyl)hex-3-ene
SMILESCC/C=C(\CCl)CCCl
InChIInChI=1S/C7H12Cl2/c1-2-3-7(6-9)4-5-8/h3H,2,4-6H2,1H3/b7-3-
InChIKeyLKQLAGTUPYOANJ-CLTKARDFSA-N
MW167.08 g/mol
LogP3.19
Rot. Bonds4

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

(Z)-1-chloro-3-(chloromethyl)hex-3-ene (PubChem CID 23451716) has the molecular formula C7H12Cl2 and a molecular weight of 167.08 g/mol. Its IUPAC name is (Z)-1-chloro-3-(chloromethyl)hex-3-ene.

Molecular Properties

Compound Name(Z)-1-chloro-3-(chloromethyl)hex-3-ene
PubChem CID23451716
Molecular FormulaC7H12Cl2
Molecular Weight167.08 g/mol
Exact Mass166.03
IUPAC Name(Z)-1-chloro-3-(chloromethyl)hex-3-ene
SMILESCC/C=C(\CCl)CCCl
InChIInChI=1S/C7H12Cl2/c1-2-3-7(6-9)4-5-8/h3H,2,4-6H2,1H3/b7-3-
InChIKeyLKQLAGTUPYOANJ-CLTKARDFSA-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 (Z)-1-chloro-3-(chloromethyl)hex-3-ene?
The IUPAC name of (Z)-1-chloro-3-(chloromethyl)hex-3-ene (CID 23451716) is (Z)-1-chloro-3-(chloromethyl)hex-3-ene.
What is the SMILES notation for (Z)-1-chloro-3-(chloromethyl)hex-3-ene?
The canonical SMILES for (Z)-1-chloro-3-(chloromethyl)hex-3-ene is CC/C=C(\CCl)CCCl.
What is the InChIKey of (Z)-1-chloro-3-(chloromethyl)hex-3-ene?
The InChIKey is LKQLAGTUPYOANJ-CLTKARDFSA-N. The full InChI is InChI=1S/C7H12Cl2/c1-2-3-7(6-9)4-5-8/h3H,2,4-6H2,1H3/b7-3-.
What are the key properties of (Z)-1-chloro-3-(chloromethyl)hex-3-ene?
(Z)-1-chloro-3-(chloromethyl)hex-3-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 (Z)-1-chloro-3-(chloromethyl)hex-3-ene is sourced from PubChem (CID 23451716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).