2-[2-chloroethoxy(2-chloroethyl)phosphoryl]oxyprop-1-ene

C7H13Cl2O3P — CID 88816862

IUPAC2-[2-chloroethoxy(2-chloroethyl)phosphoryl]oxyprop-1-ene
SMILESC=C(C)OP(=O)(CCCl)OCCCl
InChIInChI=1S/C7H13Cl2O3P/c1-7(2)12-13(10,6-4-9)11-5-3-8/h1,3-6H2,2H3
InChIKeyAIIIGSQUQDIARH-UHFFFAOYSA-N
MW247.06 g/mol
LogP3.22
Rot. Bonds7

About 2-[2-chloroethoxy(2-chloroethyl)phosphoryl]oxyprop-1-ene

2-[2-chloroethoxy(2-chloroethyl)phosphoryl]oxyprop-1-ene (PubChem CID 88816862) has the molecular formula C7H13Cl2O3P and a molecular weight of 247.06 g/mol. Its IUPAC name is 2-[2-chloroethoxy(2-chloroethyl)phosphoryl]oxyprop-1-ene.

Molecular Properties

Compound Name2-[2-chloroethoxy(2-chloroethyl)phosphoryl]oxyprop-1-ene
PubChem CID88816862
Molecular FormulaC7H13Cl2O3P
Molecular Weight247.06 g/mol
Exact Mass246.00
IUPAC Name2-[2-chloroethoxy(2-chloroethyl)phosphoryl]oxyprop-1-ene
SMILESC=C(C)OP(=O)(CCCl)OCCCl
InChIInChI=1S/C7H13Cl2O3P/c1-7(2)12-13(10,6-4-9)11-5-3-8/h1,3-6H2,2H3
InChIKeyAIIIGSQUQDIARH-UHFFFAOYSA-N
XLogP3.22
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.06
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Bis(2-chloro-1-methylethyl) isopropenylphosphonate
CID 247502
2-Chloroethyl 2,2-dichloroethenyl ethylphosphonate
CID 44150837
Bis(2-chloroethyl) prop-1-en-2-ylphosphonate
CID 21426241
(2-Chloro-allyl)-phosphonic acid diethyl ester
CID 3614432
(E)-3-chloro-1-diethoxyphosphorylprop-1-ene
CID 13953137
Diethyl (3-chloroallyl)phosphonate
CID 86010
(E)-1-chloro-3-diethoxyphosphorylprop-1-ene
CID 6537956
Phosphoric acid, 1-(chloromethyl)ethenyl diethyl ester
CID 4490727
2-Chloro-3-[chloromethyl(2-chloroprop-2-enoxy)phosphoryl]oxyprop-1-ene
CID 9970867
2-[2-Chloroethoxy(methyl)phosphoryl]prop-1-ene
CID 85955682
3-[Bis(2-chloroethoxy)phosphoryl]prop-1-ene
CID 21442637
2-Chloroethoxy(prop-1-en-2-yl)phosphinic acid
CID 21569784

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloroethoxy(2-chloroethyl)phosphoryl]oxyprop-1-ene?
The IUPAC name of 2-[2-chloroethoxy(2-chloroethyl)phosphoryl]oxyprop-1-ene (CID 88816862) is 2-[2-chloroethoxy(2-chloroethyl)phosphoryl]oxyprop-1-ene.
What is the SMILES notation for 2-[2-chloroethoxy(2-chloroethyl)phosphoryl]oxyprop-1-ene?
The canonical SMILES for 2-[2-chloroethoxy(2-chloroethyl)phosphoryl]oxyprop-1-ene is C=C(C)OP(=O)(CCCl)OCCCl.
What is the InChIKey of 2-[2-chloroethoxy(2-chloroethyl)phosphoryl]oxyprop-1-ene?
The InChIKey is AIIIGSQUQDIARH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13Cl2O3P/c1-7(2)12-13(10,6-4-9)11-5-3-8/h1,3-6H2,2H3.
What are the key properties of 2-[2-chloroethoxy(2-chloroethyl)phosphoryl]oxyprop-1-ene?
2-[2-chloroethoxy(2-chloroethyl)phosphoryl]oxyprop-1-ene has a molecular weight of 247.06 g/mol, XLogP of 3.22, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloroethoxy(2-chloroethyl)phosphoryl]oxyprop-1-ene is sourced from PubChem (CID 88816862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).