1-chloro-2-[2-chloroethoxy(diethoxymethyl)phosphoryl]oxyethane

C9H19Cl2O5P — CID 131851562

IUPAC1-chloro-2-[2-chloroethoxy(diethoxymethyl)phosphoryl]oxyethane
SMILESCCOC(OCC)P(=O)(OCCCl)OCCCl
InChIInChI=1S/C9H19Cl2O5P/c1-3-13-9(14-4-2)17(12,15-7-5-10)16-8-6-11/h9H,3-8H2,1-2H3
InChIKeySAKYMDSNQFJXRM-UHFFFAOYSA-N
MW309.13 g/mol
LogP3.05
Rot. Bonds11

About 1-chloro-2-[2-chloroethoxy(diethoxymethyl)phosphoryl]oxyethane

1-chloro-2-[2-chloroethoxy(diethoxymethyl)phosphoryl]oxyethane (PubChem CID 131851562) has the molecular formula C9H19Cl2O5P and a molecular weight of 309.13 g/mol. Its IUPAC name is 1-chloro-2-[2-chloroethoxy(diethoxymethyl)phosphoryl]oxyethane.

Molecular Properties

Compound Name1-chloro-2-[2-chloroethoxy(diethoxymethyl)phosphoryl]oxyethane
PubChem CID131851562
Molecular FormulaC9H19Cl2O5P
Molecular Weight309.13 g/mol
Exact Mass308.03
IUPAC Name1-chloro-2-[2-chloroethoxy(diethoxymethyl)phosphoryl]oxyethane
SMILESCCOC(OCC)P(=O)(OCCCl)OCCCl
InChIInChI=1S/C9H19Cl2O5P/c1-3-13-9(14-4-2)17(12,15-7-5-10)16-8-6-11/h9H,3-8H2,1-2H3
InChIKeySAKYMDSNQFJXRM-UHFFFAOYSA-N
XLogP3.05
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.13
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 1-chloro-2-[2-chloroethoxy(diethoxymethyl)phosphoryl]oxyethane 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 1-chloro-2-[2-chloroethoxy(diethoxymethyl)phosphoryl]oxyethane?
The IUPAC name of 1-chloro-2-[2-chloroethoxy(diethoxymethyl)phosphoryl]oxyethane (CID 131851562) is 1-chloro-2-[2-chloroethoxy(diethoxymethyl)phosphoryl]oxyethane.
What is the SMILES notation for 1-chloro-2-[2-chloroethoxy(diethoxymethyl)phosphoryl]oxyethane?
The canonical SMILES for 1-chloro-2-[2-chloroethoxy(diethoxymethyl)phosphoryl]oxyethane is CCOC(OCC)P(=O)(OCCCl)OCCCl.
What is the InChIKey of 1-chloro-2-[2-chloroethoxy(diethoxymethyl)phosphoryl]oxyethane?
The InChIKey is SAKYMDSNQFJXRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19Cl2O5P/c1-3-13-9(14-4-2)17(12,15-7-5-10)16-8-6-11/h9H,3-8H2,1-2H3.
What are the key properties of 1-chloro-2-[2-chloroethoxy(diethoxymethyl)phosphoryl]oxyethane?
1-chloro-2-[2-chloroethoxy(diethoxymethyl)phosphoryl]oxyethane has a molecular weight of 309.13 g/mol, XLogP of 3.05, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-[2-chloroethoxy(diethoxymethyl)phosphoryl]oxyethane is sourced from PubChem (CID 131851562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).