2-chloro-1-[2-chloropropoxy(prop-2-enyl)phosphoryl]oxypropane

C9H17Cl2O3P — CID 54282192

IUPAC2-chloro-1-[2-chloropropoxy(prop-2-enyl)phosphoryl]oxypropane
SMILESC=CCP(=O)(OCC(C)Cl)OCC(C)Cl
InChIInChI=1S/C9H17Cl2O3P/c1-4-5-15(12,13-6-8(2)10)14-7-9(3)11/h4,8-9H,1,5-7H2,2-3H3
InChIKeyRRNZYARSBZBKCW-UHFFFAOYSA-N
MW275.11 g/mol
LogP3.65
Rot. Bonds8

About 2-chloro-1-[2-chloropropoxy(prop-2-enyl)phosphoryl]oxypropane

2-chloro-1-[2-chloropropoxy(prop-2-enyl)phosphoryl]oxypropane (PubChem CID 54282192) has the molecular formula C9H17Cl2O3P and a molecular weight of 275.11 g/mol. Its IUPAC name is 2-chloro-1-[2-chloropropoxy(prop-2-enyl)phosphoryl]oxypropane.

Molecular Properties

Compound Name2-chloro-1-[2-chloropropoxy(prop-2-enyl)phosphoryl]oxypropane
PubChem CID54282192
Molecular FormulaC9H17Cl2O3P
Molecular Weight275.11 g/mol
Exact Mass274.03
IUPAC Name2-chloro-1-[2-chloropropoxy(prop-2-enyl)phosphoryl]oxypropane
SMILESC=CCP(=O)(OCC(C)Cl)OCC(C)Cl
InChIInChI=1S/C9H17Cl2O3P/c1-4-5-15(12,13-6-8(2)10)14-7-9(3)11/h4,8-9H,1,5-7H2,2-3H3
InChIKeyRRNZYARSBZBKCW-UHFFFAOYSA-N
XLogP3.65
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.11
LogP ≤ 53.65
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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Related Compounds

2,2-Dichloroethenyl propyl prop-2-en-1-ylphosphonate
CID 120305
Bis(2-chloro-1-methylethyl) isopropenylphosphonate
CID 247502
Bis(2-chloroethyl) prop-1-en-2-ylphosphonate
CID 21426241
(E)-3-chloro-1-diethoxyphosphorylprop-1-ene
CID 13953137
1-Chloro-2-[2-chloroethoxy(ethenyl)phosphoryl]oxyethane;[methoxy(methyl)phosphoryl]oxymethane
CID 88804604
(E)-3-chloro-1-diethoxyphosphorylbut-1-ene
CID 14111830
Diallyl (3-chloropropyl)phosphonate
CID 129807792
4-Chloro-1-diethoxyphosphorylbuta-1,2-diene
CID 134836676
Diethyl (3-chloroallyl)phosphonate
CID 86010
(E)-1-chloro-3-diethoxyphosphorylprop-1-ene
CID 6537956
4-Chloro-4-diethoxyphosphorylbut-1-ene
CID 11447487
1-Chloro-3-[3-chloropropoxy(prop-1-enyl)phosphoryl]oxypropane
CID 237882

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-[2-chloropropoxy(prop-2-enyl)phosphoryl]oxypropane?
The IUPAC name of 2-chloro-1-[2-chloropropoxy(prop-2-enyl)phosphoryl]oxypropane (CID 54282192) is 2-chloro-1-[2-chloropropoxy(prop-2-enyl)phosphoryl]oxypropane.
What is the SMILES notation for 2-chloro-1-[2-chloropropoxy(prop-2-enyl)phosphoryl]oxypropane?
The canonical SMILES for 2-chloro-1-[2-chloropropoxy(prop-2-enyl)phosphoryl]oxypropane is C=CCP(=O)(OCC(C)Cl)OCC(C)Cl.
What is the InChIKey of 2-chloro-1-[2-chloropropoxy(prop-2-enyl)phosphoryl]oxypropane?
The InChIKey is RRNZYARSBZBKCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17Cl2O3P/c1-4-5-15(12,13-6-8(2)10)14-7-9(3)11/h4,8-9H,1,5-7H2,2-3H3.
What are the key properties of 2-chloro-1-[2-chloropropoxy(prop-2-enyl)phosphoryl]oxypropane?
2-chloro-1-[2-chloropropoxy(prop-2-enyl)phosphoryl]oxypropane has a molecular weight of 275.11 g/mol, XLogP of 3.65, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-[2-chloropropoxy(prop-2-enyl)phosphoryl]oxypropane is sourced from PubChem (CID 54282192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).