2-chloro-1-[2-chloropropoxy(ethenyl)phosphoryl]oxypropane

C8H15Cl2O3P — CID 54206262

IUPAC2-chloro-1-[2-chloropropoxy(ethenyl)phosphoryl]oxypropane
SMILESC=CP(=O)(OCC(C)Cl)OCC(C)Cl
InChIInChI=1S/C8H15Cl2O3P/c1-4-14(11,12-5-7(2)9)13-6-8(3)10/h4,7-8H,1,5-6H2,2-3H3
InChIKeyPSRROGWCDFZJOZ-UHFFFAOYSA-N
MW261.09 g/mol
LogP3.61
Rot. Bonds7

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

2-chloro-1-[2-chloropropoxy(ethenyl)phosphoryl]oxypropane (PubChem CID 54206262) has the molecular formula C8H15Cl2O3P and a molecular weight of 261.09 g/mol. Its IUPAC name is 2-chloro-1-[2-chloropropoxy(ethenyl)phosphoryl]oxypropane.

Molecular Properties

Compound Name2-chloro-1-[2-chloropropoxy(ethenyl)phosphoryl]oxypropane
PubChem CID54206262
Molecular FormulaC8H15Cl2O3P
Molecular Weight261.09 g/mol
Exact Mass260.01
IUPAC Name2-chloro-1-[2-chloropropoxy(ethenyl)phosphoryl]oxypropane
SMILESC=CP(=O)(OCC(C)Cl)OCC(C)Cl
InChIInChI=1S/C8H15Cl2O3P/c1-4-14(11,12-5-7(2)9)13-6-8(3)10/h4,7-8H,1,5-6H2,2-3H3
InChIKeyPSRROGWCDFZJOZ-UHFFFAOYSA-N
XLogP3.61
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.09
LogP ≤ 53.61
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-[2-chloropropoxy(ethenyl)phosphoryl]oxypropane?
The IUPAC name of 2-chloro-1-[2-chloropropoxy(ethenyl)phosphoryl]oxypropane (CID 54206262) is 2-chloro-1-[2-chloropropoxy(ethenyl)phosphoryl]oxypropane.
What is the SMILES notation for 2-chloro-1-[2-chloropropoxy(ethenyl)phosphoryl]oxypropane?
The canonical SMILES for 2-chloro-1-[2-chloropropoxy(ethenyl)phosphoryl]oxypropane is C=CP(=O)(OCC(C)Cl)OCC(C)Cl.
What is the InChIKey of 2-chloro-1-[2-chloropropoxy(ethenyl)phosphoryl]oxypropane?
The InChIKey is PSRROGWCDFZJOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15Cl2O3P/c1-4-14(11,12-5-7(2)9)13-6-8(3)10/h4,7-8H,1,5-6H2,2-3H3.
What are the key properties of 2-chloro-1-[2-chloropropoxy(ethenyl)phosphoryl]oxypropane?
2-chloro-1-[2-chloropropoxy(ethenyl)phosphoryl]oxypropane has a molecular weight of 261.09 g/mol, XLogP of 3.61, 7 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(ethenyl)phosphoryl]oxypropane is sourced from PubChem (CID 54206262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).