(E)-2-chloro-1,3,3-trimethoxyprop-1-ene

C6H11ClO3 — CID 11378710

IUPAC(E)-2-chloro-1,3,3-trimethoxyprop-1-ene
SMILESCO/C=C(/Cl)C(OC)OC
InChIInChI=1S/C6H11ClO3/c1-8-4-5(7)6(9-2)10-3/h4,6H,1-3H3/b5-4+
InChIKeyYCJCGTYELZKUJB-SNAWJCMRSA-N
MW166.60 g/mol
LogP1.33
Rot. Bonds4

About (E)-2-chloro-1,3,3-trimethoxyprop-1-ene

(E)-2-chloro-1,3,3-trimethoxyprop-1-ene (PubChem CID 11378710) has the molecular formula C6H11ClO3 and a molecular weight of 166.60 g/mol. Its IUPAC name is (E)-2-chloro-1,3,3-trimethoxyprop-1-ene.

Molecular Properties

Compound Name(E)-2-chloro-1,3,3-trimethoxyprop-1-ene
PubChem CID11378710
Molecular FormulaC6H11ClO3
Molecular Weight166.60 g/mol
Exact Mass166.04
IUPAC Name(E)-2-chloro-1,3,3-trimethoxyprop-1-ene
SMILESCO/C=C(/Cl)C(OC)OC
InChIInChI=1S/C6H11ClO3/c1-8-4-5(7)6(9-2)10-3/h4,6H,1-3H3/b5-4+
InChIKeyYCJCGTYELZKUJB-SNAWJCMRSA-N
XLogP1.33
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.60
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze (E)-2-chloro-1,3,3-trimethoxyprop-1-ene with MolForge

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

Launch Full Analysis

Related Compounds

2-Chloro-3,3-diethoxyprop-1-ene
CID 23263315
2-Chloro-3,3-dimethoxyprop-1-ene
CID 13835530
(Z)-1,2-dichloro-3,3-dimethoxyprop-1-ene
CID 20303574
1,2-Dichloro-3,3-dimethoxyprop-1-ene
CID 53673564
2-Chloro-1,3,3-trimethoxyprop-1-ene
CID 72823993
2-Chloro-1,3,3-triethoxyprop-1-ene
CID 85044404
(E)-2-chloro-1,3,3-triethoxyprop-1-ene
CID 9813132
(Z)-2-chloro-1,3,3-trimethoxyprop-1-ene
CID 9834055
(Z)-2-chloro-1,1-dimethoxybut-2-ene
CID 13835538
2-Chloro-1,1-dimethoxybut-2-ene
CID 131865587

Frequently Asked Questions

What is the IUPAC name of (E)-2-chloro-1,3,3-trimethoxyprop-1-ene?
The IUPAC name of (E)-2-chloro-1,3,3-trimethoxyprop-1-ene (CID 11378710) is (E)-2-chloro-1,3,3-trimethoxyprop-1-ene.
What is the SMILES notation for (E)-2-chloro-1,3,3-trimethoxyprop-1-ene?
The canonical SMILES for (E)-2-chloro-1,3,3-trimethoxyprop-1-ene is CO/C=C(/Cl)C(OC)OC.
What is the InChIKey of (E)-2-chloro-1,3,3-trimethoxyprop-1-ene?
The InChIKey is YCJCGTYELZKUJB-SNAWJCMRSA-N. The full InChI is InChI=1S/C6H11ClO3/c1-8-4-5(7)6(9-2)10-3/h4,6H,1-3H3/b5-4+.
What are the key properties of (E)-2-chloro-1,3,3-trimethoxyprop-1-ene?
(E)-2-chloro-1,3,3-trimethoxyprop-1-ene has a molecular weight of 166.60 g/mol, XLogP of 1.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-chloro-1,3,3-trimethoxyprop-1-ene is sourced from PubChem (CID 11378710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).