(Z)-1-chloro-2-diethoxyphosphoryl-1-methoxyprop-1-ene

C8H16ClO4P — CID 23272776

IUPAC(Z)-1-chloro-2-diethoxyphosphoryl-1-methoxyprop-1-ene
SMILESCCOP(=O)(OCC)/C(C)=C(\Cl)OC
InChIInChI=1S/C8H16ClO4P/c1-5-12-14(10,13-6-2)7(3)8(9)11-4/h5-6H2,1-4H3/b8-7+
InChIKeyKWVZKSHRGXKYLM-BQYQJAHWSA-N
MW242.64 g/mol
LogP3.33
Rot. Bonds6

About (Z)-1-chloro-2-diethoxyphosphoryl-1-methoxyprop-1-ene

(Z)-1-chloro-2-diethoxyphosphoryl-1-methoxyprop-1-ene (PubChem CID 23272776) has the molecular formula C8H16ClO4P and a molecular weight of 242.64 g/mol. Its IUPAC name is (Z)-1-chloro-2-diethoxyphosphoryl-1-methoxyprop-1-ene.

Molecular Properties

Compound Name(Z)-1-chloro-2-diethoxyphosphoryl-1-methoxyprop-1-ene
PubChem CID23272776
Molecular FormulaC8H16ClO4P
Molecular Weight242.64 g/mol
Exact Mass242.05
IUPAC Name(Z)-1-chloro-2-diethoxyphosphoryl-1-methoxyprop-1-ene
SMILESCCOP(=O)(OCC)/C(C)=C(\Cl)OC
InChIInChI=1S/C8H16ClO4P/c1-5-12-14(10,13-6-2)7(3)8(9)11-4/h5-6H2,1-4H3/b8-7+
InChIKeyKWVZKSHRGXKYLM-BQYQJAHWSA-N
XLogP3.33
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.64
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (Z)-1-chloro-2-diethoxyphosphoryl-1-methoxyprop-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

(E)-2-diethoxyphosphoryl-1-methoxyprop-1-ene
CID 12586022
(Z)-1-diethoxyphosphoryl-1-ethoxyprop-1-ene
CID 13172413
(Z)-1-chloro-1-diethoxyphosphoryl-2-ethoxyethene
CID 13207011
(E)-2-diethoxyphosphoryl-1-ethoxyprop-1-ene
CID 100931501
chloro-[(Z)-1-di(propan-2-yloxy)phosphoryl-1-ethoxyprop-1-en-2-yl]mercury
CID 23268238
(E)-1-chloro-2-diethoxyphosphoryl-1-methoxy-3-methylbut-1-ene
CID 23273001
1-[(Z)-1-chloro-2-dimethoxyphosphorylethenoxy]butane
CID 23272777
(Z)-1-chloro-2-diethoxyphosphoryl-1-ethoxyprop-1-ene
CID 23272868
(E)-1-chloro-1-di(propan-2-yloxy)phosphorylprop-1-en-2-olate
CID 23416640
Diethyl (1-ethoxyprop-1-en-1-yl)phosphonate
CID 71329081
Diethyl (1-chloro-2-ethoxyethenyl)phosphonate
CID 71447214
(E)-1-chloro-2-diethoxyphosphoryl-1-ethoxyethene
CID 131858242

Frequently Asked Questions

What is the IUPAC name of (Z)-1-chloro-2-diethoxyphosphoryl-1-methoxyprop-1-ene?
The IUPAC name of (Z)-1-chloro-2-diethoxyphosphoryl-1-methoxyprop-1-ene (CID 23272776) is (Z)-1-chloro-2-diethoxyphosphoryl-1-methoxyprop-1-ene.
What is the SMILES notation for (Z)-1-chloro-2-diethoxyphosphoryl-1-methoxyprop-1-ene?
The canonical SMILES for (Z)-1-chloro-2-diethoxyphosphoryl-1-methoxyprop-1-ene is CCOP(=O)(OCC)/C(C)=C(\Cl)OC.
What is the InChIKey of (Z)-1-chloro-2-diethoxyphosphoryl-1-methoxyprop-1-ene?
The InChIKey is KWVZKSHRGXKYLM-BQYQJAHWSA-N. The full InChI is InChI=1S/C8H16ClO4P/c1-5-12-14(10,13-6-2)7(3)8(9)11-4/h5-6H2,1-4H3/b8-7+.
What are the key properties of (Z)-1-chloro-2-diethoxyphosphoryl-1-methoxyprop-1-ene?
(Z)-1-chloro-2-diethoxyphosphoryl-1-methoxyprop-1-ene has a molecular weight of 242.64 g/mol, XLogP of 3.33, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-chloro-2-diethoxyphosphoryl-1-methoxyprop-1-ene is sourced from PubChem (CID 23272776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).