(Z)-1,4-dichloro-2-methylbut-2-ene

C5H8Cl2 — CID 12528934

IUPAC(Z)-1,4-dichloro-2-methylbut-2-ene
SMILESC/C(=C/CCl)CCl
InChIInChI=1S/C5H8Cl2/c1-5(4-7)2-3-6/h2H,3-4H2,1H3/b5-2-
InChIKeyWYQWPAZKDKRBIG-DJWKRKHSSA-N
MW139.02 g/mol
LogP2.41
Rot. Bonds2

About (Z)-1,4-dichloro-2-methylbut-2-ene

(Z)-1,4-dichloro-2-methylbut-2-ene (PubChem CID 12528934) has the molecular formula C5H8Cl2 and a molecular weight of 139.02 g/mol. Its IUPAC name is (Z)-1,4-dichloro-2-methylbut-2-ene.

Molecular Properties

Compound Name(Z)-1,4-dichloro-2-methylbut-2-ene
PubChem CID12528934
Molecular FormulaC5H8Cl2
Molecular Weight139.02 g/mol
Exact Mass138.00
IUPAC Name(Z)-1,4-dichloro-2-methylbut-2-ene
SMILESC/C(=C/CCl)CCl
InChIInChI=1S/C5H8Cl2/c1-5(4-7)2-3-6/h2H,3-4H2,1H3/b5-2-
InChIKeyWYQWPAZKDKRBIG-DJWKRKHSSA-N
XLogP2.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.02
LogP ≤ 52.41
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)-1,4-dichloro-2-methylbut-2-ene?
The IUPAC name of (Z)-1,4-dichloro-2-methylbut-2-ene (CID 12528934) is (Z)-1,4-dichloro-2-methylbut-2-ene.
What is the SMILES notation for (Z)-1,4-dichloro-2-methylbut-2-ene?
The canonical SMILES for (Z)-1,4-dichloro-2-methylbut-2-ene is C/C(=C/CCl)CCl.
What is the InChIKey of (Z)-1,4-dichloro-2-methylbut-2-ene?
The InChIKey is WYQWPAZKDKRBIG-DJWKRKHSSA-N. The full InChI is InChI=1S/C5H8Cl2/c1-5(4-7)2-3-6/h2H,3-4H2,1H3/b5-2-.
What are the key properties of (Z)-1,4-dichloro-2-methylbut-2-ene?
(Z)-1,4-dichloro-2-methylbut-2-ene has a molecular weight of 139.02 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1,4-dichloro-2-methylbut-2-ene is sourced from PubChem (CID 12528934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).