1-chloro-2-(chloromethyl)pent-2-ene

C6H10Cl2 — CID 55298133

IUPAC1-chloro-2-(chloromethyl)pent-2-ene
SMILESCCC=C(CCl)CCl
InChIInChI=1S/C6H10Cl2/c1-2-3-6(4-7)5-8/h3H,2,4-5H2,1H3
InChIKeyZAPHXSOOERECJN-UHFFFAOYSA-N
MW153.05 g/mol
LogP2.80
Rot. Bonds3

About 1-chloro-2-(chloromethyl)pent-2-ene

1-chloro-2-(chloromethyl)pent-2-ene (PubChem CID 55298133) has the molecular formula C6H10Cl2 and a molecular weight of 153.05 g/mol. Its IUPAC name is 1-chloro-2-(chloromethyl)pent-2-ene.

Molecular Properties

Compound Name1-chloro-2-(chloromethyl)pent-2-ene
PubChem CID55298133
Molecular FormulaC6H10Cl2
Molecular Weight153.05 g/mol
Exact Mass152.02
IUPAC Name1-chloro-2-(chloromethyl)pent-2-ene
SMILESCCC=C(CCl)CCl
InChIInChI=1S/C6H10Cl2/c1-2-3-6(4-7)5-8/h3H,2,4-5H2,1H3
InChIKeyZAPHXSOOERECJN-UHFFFAOYSA-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 1-chloro-2-(chloromethyl)pent-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 1-chloro-2-(chloromethyl)pent-2-ene?
The IUPAC name of 1-chloro-2-(chloromethyl)pent-2-ene (CID 55298133) is 1-chloro-2-(chloromethyl)pent-2-ene.
What is the SMILES notation for 1-chloro-2-(chloromethyl)pent-2-ene?
The canonical SMILES for 1-chloro-2-(chloromethyl)pent-2-ene is CCC=C(CCl)CCl.
What is the InChIKey of 1-chloro-2-(chloromethyl)pent-2-ene?
The InChIKey is ZAPHXSOOERECJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10Cl2/c1-2-3-6(4-7)5-8/h3H,2,4-5H2,1H3.
What are the key properties of 1-chloro-2-(chloromethyl)pent-2-ene?
1-chloro-2-(chloromethyl)pent-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 1-chloro-2-(chloromethyl)pent-2-ene is sourced from PubChem (CID 55298133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).