3-[bis(2-chloroethoxy)phosphoryl]prop-1-ene

C7H13Cl2O3P — CID 21442637

IUPAC3-[bis(2-chloroethoxy)phosphoryl]prop-1-ene
SMILESC=CCP(=O)(OCCCl)OCCCl
InChIInChI=1S/C7H13Cl2O3P/c1-2-7-13(10,11-5-3-8)12-6-4-9/h2H,1,3-7H2
InChIKeyZOIWANNSFJUMOH-UHFFFAOYSA-N
MW247.06 g/mol
LogP2.88
Rot. Bonds8

About 3-[bis(2-chloroethoxy)phosphoryl]prop-1-ene

3-[bis(2-chloroethoxy)phosphoryl]prop-1-ene (PubChem CID 21442637) has the molecular formula C7H13Cl2O3P and a molecular weight of 247.06 g/mol. Its IUPAC name is 3-[bis(2-chloroethoxy)phosphoryl]prop-1-ene.

Molecular Properties

Compound Name3-[bis(2-chloroethoxy)phosphoryl]prop-1-ene
PubChem CID21442637
Molecular FormulaC7H13Cl2O3P
Molecular Weight247.06 g/mol
Exact Mass246.00
IUPAC Name3-[bis(2-chloroethoxy)phosphoryl]prop-1-ene
SMILESC=CCP(=O)(OCCCl)OCCCl
InChIInChI=1S/C7H13Cl2O3P/c1-2-7-13(10,11-5-3-8)12-6-4-9/h2H,1,3-7H2
InChIKeyZOIWANNSFJUMOH-UHFFFAOYSA-N
XLogP2.88
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.06
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[bis(2-chloroethoxy)phosphoryl]prop-1-ene?
The IUPAC name of 3-[bis(2-chloroethoxy)phosphoryl]prop-1-ene (CID 21442637) is 3-[bis(2-chloroethoxy)phosphoryl]prop-1-ene.
What is the SMILES notation for 3-[bis(2-chloroethoxy)phosphoryl]prop-1-ene?
The canonical SMILES for 3-[bis(2-chloroethoxy)phosphoryl]prop-1-ene is C=CCP(=O)(OCCCl)OCCCl.
What is the InChIKey of 3-[bis(2-chloroethoxy)phosphoryl]prop-1-ene?
The InChIKey is ZOIWANNSFJUMOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13Cl2O3P/c1-2-7-13(10,11-5-3-8)12-6-4-9/h2H,1,3-7H2.
What are the key properties of 3-[bis(2-chloroethoxy)phosphoryl]prop-1-ene?
3-[bis(2-chloroethoxy)phosphoryl]prop-1-ene has a molecular weight of 247.06 g/mol, XLogP of 2.88, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(2-chloroethoxy)phosphoryl]prop-1-ene is sourced from PubChem (CID 21442637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).