1,4-dichloro-2,3-bis(chloromethyl)but-2-ene

C6H8Cl4 — CID 14530626

IUPAC1,4-dichloro-2,3-bis(chloromethyl)but-2-ene
SMILESClCC(CCl)=C(CCl)CCl
InChIInChI=1S/C6H8Cl4/c7-1-5(2-8)6(3-9)4-10/h1-4H2
InChIKeyKZVNMGNMUIBWIT-UHFFFAOYSA-N
MW221.94 g/mol
LogP3.24
Rot. Bonds4

About 1,4-dichloro-2,3-bis(chloromethyl)but-2-ene

1,4-dichloro-2,3-bis(chloromethyl)but-2-ene (PubChem CID 14530626) has the molecular formula C6H8Cl4 and a molecular weight of 221.94 g/mol. Its IUPAC name is 1,4-dichloro-2,3-bis(chloromethyl)but-2-ene.

Molecular Properties

Compound Name1,4-dichloro-2,3-bis(chloromethyl)but-2-ene
PubChem CID14530626
Molecular FormulaC6H8Cl4
Molecular Weight221.94 g/mol
Exact Mass219.94
IUPAC Name1,4-dichloro-2,3-bis(chloromethyl)but-2-ene
SMILESClCC(CCl)=C(CCl)CCl
InChIInChI=1S/C6H8Cl4/c7-1-5(2-8)6(3-9)4-10/h1-4H2
InChIKeyKZVNMGNMUIBWIT-UHFFFAOYSA-N
XLogP3.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.94
LogP ≤ 53.24
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 1,4-dichloro-2,3-bis(chloromethyl)but-2-ene?
The IUPAC name of 1,4-dichloro-2,3-bis(chloromethyl)but-2-ene (CID 14530626) is 1,4-dichloro-2,3-bis(chloromethyl)but-2-ene.
What is the SMILES notation for 1,4-dichloro-2,3-bis(chloromethyl)but-2-ene?
The canonical SMILES for 1,4-dichloro-2,3-bis(chloromethyl)but-2-ene is ClCC(CCl)=C(CCl)CCl.
What is the InChIKey of 1,4-dichloro-2,3-bis(chloromethyl)but-2-ene?
The InChIKey is KZVNMGNMUIBWIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8Cl4/c7-1-5(2-8)6(3-9)4-10/h1-4H2.
What are the key properties of 1,4-dichloro-2,3-bis(chloromethyl)but-2-ene?
1,4-dichloro-2,3-bis(chloromethyl)but-2-ene has a molecular weight of 221.94 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dichloro-2,3-bis(chloromethyl)but-2-ene is sourced from PubChem (CID 14530626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).