1,4-dichloro-2,3-dimethylbut-2-ene

C6H10Cl2 — CID 54011361

IUPAC1,4-dichloro-2,3-dimethylbut-2-ene
SMILESCC(CCl)=C(C)CCl
InChIInChI=1S/C6H10Cl2/c1-5(3-7)6(2)4-8/h3-4H2,1-2H3
InChIKeyKSPDERICHSMEND-UHFFFAOYSA-N
MW153.05 g/mol
LogP2.80
Rot. Bonds2

About 1,4-dichloro-2,3-dimethylbut-2-ene

1,4-dichloro-2,3-dimethylbut-2-ene (PubChem CID 54011361) has the molecular formula C6H10Cl2 and a molecular weight of 153.05 g/mol. Its IUPAC name is 1,4-dichloro-2,3-dimethylbut-2-ene.

Molecular Properties

Compound Name1,4-dichloro-2,3-dimethylbut-2-ene
PubChem CID54011361
Molecular FormulaC6H10Cl2
Molecular Weight153.05 g/mol
Exact Mass152.02
IUPAC Name1,4-dichloro-2,3-dimethylbut-2-ene
SMILESCC(CCl)=C(C)CCl
InChIInChI=1S/C6H10Cl2/c1-5(3-7)6(2)4-8/h3-4H2,1-2H3
InChIKeyKSPDERICHSMEND-UHFFFAOYSA-N
XLogP2.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.05
LogP ≤ 52.80
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-dimethylbut-2-ene?
The IUPAC name of 1,4-dichloro-2,3-dimethylbut-2-ene (CID 54011361) is 1,4-dichloro-2,3-dimethylbut-2-ene.
What is the SMILES notation for 1,4-dichloro-2,3-dimethylbut-2-ene?
The canonical SMILES for 1,4-dichloro-2,3-dimethylbut-2-ene is CC(CCl)=C(C)CCl.
What is the InChIKey of 1,4-dichloro-2,3-dimethylbut-2-ene?
The InChIKey is KSPDERICHSMEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10Cl2/c1-5(3-7)6(2)4-8/h3-4H2,1-2H3.
What are the key properties of 1,4-dichloro-2,3-dimethylbut-2-ene?
1,4-dichloro-2,3-dimethylbut-2-ene has a molecular weight of 153.05 g/mol, XLogP of 2.80, 2 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-dimethylbut-2-ene is sourced from PubChem (CID 54011361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).