(E)-3-chloro-1-[(E)-3-chlorobut-2-enoxy]but-2-ene

C8H12Cl2O — CID 12583671

IUPAC(E)-3-chloro-1-[(E)-3-chlorobut-2-enoxy]but-2-ene
SMILESC/C(Cl)=C\COC/C=C(\C)Cl
InChIInChI=1S/C8H12Cl2O/c1-7(9)3-5-11-6-4-8(2)10/h3-4H,5-6H2,1-2H3/b7-3+,8-4+
InChIKeyRGPMVIXXVLKHKZ-FCXRPNKRSA-N
MW195.09 g/mol
LogP3.29
Rot. Bonds4

About (E)-3-chloro-1-[(E)-3-chlorobut-2-enoxy]but-2-ene

(E)-3-chloro-1-[(E)-3-chlorobut-2-enoxy]but-2-ene (PubChem CID 12583671) has the molecular formula C8H12Cl2O and a molecular weight of 195.09 g/mol. Its IUPAC name is (E)-3-chloro-1-[(E)-3-chlorobut-2-enoxy]but-2-ene.

Molecular Properties

Compound Name(E)-3-chloro-1-[(E)-3-chlorobut-2-enoxy]but-2-ene
PubChem CID12583671
Molecular FormulaC8H12Cl2O
Molecular Weight195.09 g/mol
Exact Mass194.03
IUPAC Name(E)-3-chloro-1-[(E)-3-chlorobut-2-enoxy]but-2-ene
SMILESC/C(Cl)=C\COC/C=C(\C)Cl
InChIInChI=1S/C8H12Cl2O/c1-7(9)3-5-11-6-4-8(2)10/h3-4H,5-6H2,1-2H3/b7-3+,8-4+
InChIKeyRGPMVIXXVLKHKZ-FCXRPNKRSA-N
XLogP3.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.09
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-3-chloro-1-[(E)-3-chlorobut-2-enoxy]but-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)-3-chloro-1-[(E)-3-chlorobut-2-enoxy]but-2-ene?
The IUPAC name of (E)-3-chloro-1-[(E)-3-chlorobut-2-enoxy]but-2-ene (CID 12583671) is (E)-3-chloro-1-[(E)-3-chlorobut-2-enoxy]but-2-ene.
What is the SMILES notation for (E)-3-chloro-1-[(E)-3-chlorobut-2-enoxy]but-2-ene?
The canonical SMILES for (E)-3-chloro-1-[(E)-3-chlorobut-2-enoxy]but-2-ene is C/C(Cl)=C\COC/C=C(\C)Cl.
What is the InChIKey of (E)-3-chloro-1-[(E)-3-chlorobut-2-enoxy]but-2-ene?
The InChIKey is RGPMVIXXVLKHKZ-FCXRPNKRSA-N. The full InChI is InChI=1S/C8H12Cl2O/c1-7(9)3-5-11-6-4-8(2)10/h3-4H,5-6H2,1-2H3/b7-3+,8-4+.
What are the key properties of (E)-3-chloro-1-[(E)-3-chlorobut-2-enoxy]but-2-ene?
(E)-3-chloro-1-[(E)-3-chlorobut-2-enoxy]but-2-ene has a molecular weight of 195.09 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-chloro-1-[(E)-3-chlorobut-2-enoxy]but-2-ene is sourced from PubChem (CID 12583671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).