1,3-dichloro-2-methylprop-1-ene

C4H6Cl2 — CID 18801

IUPAC1,3-dichloro-2-methylprop-1-ene
SMILESCC(=CCl)CCl
InChIInChI=1S/C4H6Cl2/c1-4(2-5)3-6/h2H,3H2,1H3
InChIKeyZWZWQSKCVXIXQJ-UHFFFAOYSA-N
MW125.00 g/mol
LogP2.37
Rot. Bonds1

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

1,3-dichloro-2-methylprop-1-ene (PubChem CID 18801) has the molecular formula C4H6Cl2 and a molecular weight of 125.00 g/mol. Its IUPAC name is 1,3-dichloro-2-methylprop-1-ene.

Molecular Properties

Compound Name1,3-dichloro-2-methylprop-1-ene
PubChem CID18801
Molecular FormulaC4H6Cl2
Molecular Weight125.00 g/mol
Exact Mass123.98
IUPAC Name1,3-dichloro-2-methylprop-1-ene
SMILESCC(=CCl)CCl
InChIInChI=1S/C4H6Cl2/c1-4(2-5)3-6/h2H,3H2,1H3
InChIKeyZWZWQSKCVXIXQJ-UHFFFAOYSA-N
XLogP2.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.00
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-2-methylprop-1-ene?
The IUPAC name of 1,3-dichloro-2-methylprop-1-ene (CID 18801) is 1,3-dichloro-2-methylprop-1-ene.
What is the SMILES notation for 1,3-dichloro-2-methylprop-1-ene?
The canonical SMILES for 1,3-dichloro-2-methylprop-1-ene is CC(=CCl)CCl.
What is the InChIKey of 1,3-dichloro-2-methylprop-1-ene?
The InChIKey is ZWZWQSKCVXIXQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6Cl2/c1-4(2-5)3-6/h2H,3H2,1H3.
What are the key properties of 1,3-dichloro-2-methylprop-1-ene?
1,3-dichloro-2-methylprop-1-ene has a molecular weight of 125.00 g/mol, XLogP of 2.37, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-2-methylprop-1-ene is sourced from PubChem (CID 18801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).