2-chloro-2-diethoxyphosphorylpropane

C7H16ClO3P — CID 10512841

IUPAC2-chloro-2-diethoxyphosphorylpropane
SMILESCCOP(=O)(OCC)C(C)(C)Cl
InChIInChI=1S/C7H16ClO3P/c1-5-10-12(9,11-6-2)7(3,4)8/h5-6H2,1-4H3
InChIKeyLUEMJPAMLVRVQN-UHFFFAOYSA-N
MW214.63 g/mol
LogP3.23
Rot. Bonds5

About 2-chloro-2-diethoxyphosphorylpropane

2-chloro-2-diethoxyphosphorylpropane (PubChem CID 10512841) has the molecular formula C7H16ClO3P and a molecular weight of 214.63 g/mol. Its IUPAC name is 2-chloro-2-diethoxyphosphorylpropane.

Molecular Properties

Compound Name2-chloro-2-diethoxyphosphorylpropane
PubChem CID10512841
Molecular FormulaC7H16ClO3P
Molecular Weight214.63 g/mol
Exact Mass214.05
IUPAC Name2-chloro-2-diethoxyphosphorylpropane
SMILESCCOP(=O)(OCC)C(C)(C)Cl
InChIInChI=1S/C7H16ClO3P/c1-5-10-12(9,11-6-2)7(3,4)8/h5-6H2,1-4H3
InChIKeyLUEMJPAMLVRVQN-UHFFFAOYSA-N
XLogP3.23
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.63
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-chloro-2-diethoxyphosphorylpropane 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 2-chloro-2-diethoxyphosphorylpropane?
The IUPAC name of 2-chloro-2-diethoxyphosphorylpropane (CID 10512841) is 2-chloro-2-diethoxyphosphorylpropane.
What is the SMILES notation for 2-chloro-2-diethoxyphosphorylpropane?
The canonical SMILES for 2-chloro-2-diethoxyphosphorylpropane is CCOP(=O)(OCC)C(C)(C)Cl.
What is the InChIKey of 2-chloro-2-diethoxyphosphorylpropane?
The InChIKey is LUEMJPAMLVRVQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16ClO3P/c1-5-10-12(9,11-6-2)7(3,4)8/h5-6H2,1-4H3.
What are the key properties of 2-chloro-2-diethoxyphosphorylpropane?
2-chloro-2-diethoxyphosphorylpropane has a molecular weight of 214.63 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-diethoxyphosphorylpropane is sourced from PubChem (CID 10512841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).