2-chloro-1-diethoxyphosphoryl-1-methoxyethene

C7H14ClO4P — CID 71424489

IUPAC2-chloro-1-diethoxyphosphoryl-1-methoxyethene
SMILESCCOP(=O)(OCC)C(=CCl)OC
InChIInChI=1S/C7H14ClO4P/c1-4-11-13(9,12-5-2)7(6-8)10-3/h6H,4-5H2,1-3H3
InChIKeyUSQVSJXLSBSNLY-UHFFFAOYSA-N
MW228.61 g/mol
LogP2.94
Rot. Bonds6

About 2-chloro-1-diethoxyphosphoryl-1-methoxyethene

2-chloro-1-diethoxyphosphoryl-1-methoxyethene (PubChem CID 71424489) has the molecular formula C7H14ClO4P and a molecular weight of 228.61 g/mol. Its IUPAC name is 2-chloro-1-diethoxyphosphoryl-1-methoxyethene.

Molecular Properties

Compound Name2-chloro-1-diethoxyphosphoryl-1-methoxyethene
PubChem CID71424489
Molecular FormulaC7H14ClO4P
Molecular Weight228.61 g/mol
Exact Mass228.03
IUPAC Name2-chloro-1-diethoxyphosphoryl-1-methoxyethene
SMILESCCOP(=O)(OCC)C(=CCl)OC
InChIInChI=1S/C7H14ClO4P/c1-4-11-13(9,12-5-2)7(6-8)10-3/h6H,4-5H2,1-3H3
InChIKeyUSQVSJXLSBSNLY-UHFFFAOYSA-N
XLogP2.94
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.61
LogP ≤ 52.94
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-diethoxyphosphoryl-1-methoxyethene?
The IUPAC name of 2-chloro-1-diethoxyphosphoryl-1-methoxyethene (CID 71424489) is 2-chloro-1-diethoxyphosphoryl-1-methoxyethene.
What is the SMILES notation for 2-chloro-1-diethoxyphosphoryl-1-methoxyethene?
The canonical SMILES for 2-chloro-1-diethoxyphosphoryl-1-methoxyethene is CCOP(=O)(OCC)C(=CCl)OC.
What is the InChIKey of 2-chloro-1-diethoxyphosphoryl-1-methoxyethene?
The InChIKey is USQVSJXLSBSNLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14ClO4P/c1-4-11-13(9,12-5-2)7(6-8)10-3/h6H,4-5H2,1-3H3.
What are the key properties of 2-chloro-1-diethoxyphosphoryl-1-methoxyethene?
2-chloro-1-diethoxyphosphoryl-1-methoxyethene has a molecular weight of 228.61 g/mol, XLogP of 2.94, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-diethoxyphosphoryl-1-methoxyethene is sourced from PubChem (CID 71424489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).