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

C6H10Cl2 — CID 15093600

IUPAC3,4-dichloro-2,3-dimethylbut-1-ene
SMILESC=C(C)C(C)(Cl)CCl
InChIInChI=1S/C6H10Cl2/c1-5(2)6(3,8)4-7/h1,4H2,2-3H3
InChIKeyUCFXTJCFBRHQGK-UHFFFAOYSA-N
MW153.05 g/mol
LogP2.80
Rot. Bonds2

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

3,4-dichloro-2,3-dimethylbut-1-ene (PubChem CID 15093600) has the molecular formula C6H10Cl2 and a molecular weight of 153.05 g/mol. Its IUPAC name is 3,4-dichloro-2,3-dimethylbut-1-ene.

Molecular Properties

Compound Name3,4-dichloro-2,3-dimethylbut-1-ene
PubChem CID15093600
Molecular FormulaC6H10Cl2
Molecular Weight153.05 g/mol
Exact Mass152.02
IUPAC Name3,4-dichloro-2,3-dimethylbut-1-ene
SMILESC=C(C)C(C)(Cl)CCl
InChIInChI=1S/C6H10Cl2/c1-5(2)6(3,8)4-7/h1,4H2,2-3H3
InChIKeyUCFXTJCFBRHQGK-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 3,4-dichloro-2,3-dimethylbut-1-ene?
The IUPAC name of 3,4-dichloro-2,3-dimethylbut-1-ene (CID 15093600) is 3,4-dichloro-2,3-dimethylbut-1-ene.
What is the SMILES notation for 3,4-dichloro-2,3-dimethylbut-1-ene?
The canonical SMILES for 3,4-dichloro-2,3-dimethylbut-1-ene is C=C(C)C(C)(Cl)CCl.
What is the InChIKey of 3,4-dichloro-2,3-dimethylbut-1-ene?
The InChIKey is UCFXTJCFBRHQGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10Cl2/c1-5(2)6(3,8)4-7/h1,4H2,2-3H3.
What are the key properties of 3,4-dichloro-2,3-dimethylbut-1-ene?
3,4-dichloro-2,3-dimethylbut-1-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 3,4-dichloro-2,3-dimethylbut-1-ene is sourced from PubChem (CID 15093600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).