(E)-4-chloro-1,1-dimethoxybut-2-ene

C6H11ClO2 — CID 15827966

IUPAC(E)-4-chloro-1,1-dimethoxybut-2-ene
SMILESCOC(/C=C/CCl)OC
InChIInChI=1S/C6H11ClO2/c1-8-6(9-2)4-3-5-7/h3-4,6H,5H2,1-2H3/b4-3+
InChIKeyJVWFPXGWLJBTAG-ONEGZZNKSA-N
MW150.60 g/mol
LogP1.40
Rot. Bonds4

About (E)-4-chloro-1,1-dimethoxybut-2-ene

(E)-4-chloro-1,1-dimethoxybut-2-ene (PubChem CID 15827966) has the molecular formula C6H11ClO2 and a molecular weight of 150.60 g/mol. Its IUPAC name is (E)-4-chloro-1,1-dimethoxybut-2-ene.

Molecular Properties

Compound Name(E)-4-chloro-1,1-dimethoxybut-2-ene
PubChem CID15827966
Molecular FormulaC6H11ClO2
Molecular Weight150.60 g/mol
Exact Mass150.04
IUPAC Name(E)-4-chloro-1,1-dimethoxybut-2-ene
SMILESCOC(/C=C/CCl)OC
InChIInChI=1S/C6H11ClO2/c1-8-6(9-2)4-3-5-7/h3-4,6H,5H2,1-2H3/b4-3+
InChIKeyJVWFPXGWLJBTAG-ONEGZZNKSA-N
XLogP1.40
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.60
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (E)-4-chloro-1,1-dimethoxybut-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)-4-chloro-1,1-dimethoxybut-2-ene?
The IUPAC name of (E)-4-chloro-1,1-dimethoxybut-2-ene (CID 15827966) is (E)-4-chloro-1,1-dimethoxybut-2-ene.
What is the SMILES notation for (E)-4-chloro-1,1-dimethoxybut-2-ene?
The canonical SMILES for (E)-4-chloro-1,1-dimethoxybut-2-ene is COC(/C=C/CCl)OC.
What is the InChIKey of (E)-4-chloro-1,1-dimethoxybut-2-ene?
The InChIKey is JVWFPXGWLJBTAG-ONEGZZNKSA-N. The full InChI is InChI=1S/C6H11ClO2/c1-8-6(9-2)4-3-5-7/h3-4,6H,5H2,1-2H3/b4-3+.
What are the key properties of (E)-4-chloro-1,1-dimethoxybut-2-ene?
(E)-4-chloro-1,1-dimethoxybut-2-ene has a molecular weight of 150.60 g/mol, XLogP of 1.40, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-chloro-1,1-dimethoxybut-2-ene is sourced from PubChem (CID 15827966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).