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

C6H10Cl2 — CID 57018531

IUPAC1,1-dichloro-2,3-dimethylbut-2-ene
SMILESCC(C)=C(C)C(Cl)Cl
InChIInChI=1S/C6H10Cl2/c1-4(2)5(3)6(7)8/h6H,1-3H3
InChIKeyWJUCLVRMQVZPNI-UHFFFAOYSA-N
MW153.05 g/mol
LogP3.15
Rot. Bonds1

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

1,1-dichloro-2,3-dimethylbut-2-ene (PubChem CID 57018531) has the molecular formula C6H10Cl2 and a molecular weight of 153.05 g/mol. Its IUPAC name is 1,1-dichloro-2,3-dimethylbut-2-ene.

Molecular Properties

Compound Name1,1-dichloro-2,3-dimethylbut-2-ene
PubChem CID57018531
Molecular FormulaC6H10Cl2
Molecular Weight153.05 g/mol
Exact Mass152.02
IUPAC Name1,1-dichloro-2,3-dimethylbut-2-ene
SMILESCC(C)=C(C)C(Cl)Cl
InChIInChI=1S/C6H10Cl2/c1-4(2)5(3)6(7)8/h6H,1-3H3
InChIKeyWJUCLVRMQVZPNI-UHFFFAOYSA-N
XLogP3.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.05
LogP ≤ 53.15
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 1,1-dichloro-2,3-dimethylbut-2-ene?
The IUPAC name of 1,1-dichloro-2,3-dimethylbut-2-ene (CID 57018531) is 1,1-dichloro-2,3-dimethylbut-2-ene.
What is the SMILES notation for 1,1-dichloro-2,3-dimethylbut-2-ene?
The canonical SMILES for 1,1-dichloro-2,3-dimethylbut-2-ene is CC(C)=C(C)C(Cl)Cl.
What is the InChIKey of 1,1-dichloro-2,3-dimethylbut-2-ene?
The InChIKey is WJUCLVRMQVZPNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10Cl2/c1-4(2)5(3)6(7)8/h6H,1-3H3.
What are the key properties of 1,1-dichloro-2,3-dimethylbut-2-ene?
1,1-dichloro-2,3-dimethylbut-2-ene has a molecular weight of 153.05 g/mol, XLogP of 3.15, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dichloro-2,3-dimethylbut-2-ene is sourced from PubChem (CID 57018531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).