(E)-1,5-dichloro-3-methylpent-2-ene

C6H10Cl2 — CID 22794873

IUPAC(E)-1,5-dichloro-3-methylpent-2-ene
SMILESC/C(=C\CCl)CCCl
InChIInChI=1S/C6H10Cl2/c1-6(2-4-7)3-5-8/h2H,3-5H2,1H3/b6-2+
InChIKeyJMEACNUHZGZCHL-QHHAFSJGSA-N
MW153.05 g/mol
LogP2.80
Rot. Bonds3

About (E)-1,5-dichloro-3-methylpent-2-ene

(E)-1,5-dichloro-3-methylpent-2-ene (PubChem CID 22794873) has the molecular formula C6H10Cl2 and a molecular weight of 153.05 g/mol. Its IUPAC name is (E)-1,5-dichloro-3-methylpent-2-ene.

Molecular Properties

Compound Name(E)-1,5-dichloro-3-methylpent-2-ene
PubChem CID22794873
Molecular FormulaC6H10Cl2
Molecular Weight153.05 g/mol
Exact Mass152.02
IUPAC Name(E)-1,5-dichloro-3-methylpent-2-ene
SMILESC/C(=C\CCl)CCCl
InChIInChI=1S/C6H10Cl2/c1-6(2-4-7)3-5-8/h2H,3-5H2,1H3/b6-2+
InChIKeyJMEACNUHZGZCHL-QHHAFSJGSA-N
XLogP2.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
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'}

Analyze (E)-1,5-dichloro-3-methylpent-2-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-1,5-dichloro-3-methylpent-2-ene?
The IUPAC name of (E)-1,5-dichloro-3-methylpent-2-ene (CID 22794873) is (E)-1,5-dichloro-3-methylpent-2-ene.
What is the SMILES notation for (E)-1,5-dichloro-3-methylpent-2-ene?
The canonical SMILES for (E)-1,5-dichloro-3-methylpent-2-ene is C/C(=C\CCl)CCCl.
What is the InChIKey of (E)-1,5-dichloro-3-methylpent-2-ene?
The InChIKey is JMEACNUHZGZCHL-QHHAFSJGSA-N. The full InChI is InChI=1S/C6H10Cl2/c1-6(2-4-7)3-5-8/h2H,3-5H2,1H3/b6-2+.
What are the key properties of (E)-1,5-dichloro-3-methylpent-2-ene?
(E)-1,5-dichloro-3-methylpent-2-ene has a molecular weight of 153.05 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,5-dichloro-3-methylpent-2-ene is sourced from PubChem (CID 22794873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).