1-[chloromethyl(ethenyl)phosphoryl]oxyethane

C5H10ClO2P — CID 14973793

IUPAC1-[chloromethyl(ethenyl)phosphoryl]oxyethane
SMILESC=CP(=O)(CCl)OCC
InChIInChI=1S/C5H10ClO2P/c1-3-8-9(7,4-2)5-6/h4H,2-3,5H2,1H3
InChIKeyNHPGDBDRXZGKIE-UHFFFAOYSA-N
MW168.56 g/mol
LogP2.64
Rot. Bonds4

About 1-[chloromethyl(ethenyl)phosphoryl]oxyethane

1-[chloromethyl(ethenyl)phosphoryl]oxyethane (PubChem CID 14973793) has the molecular formula C5H10ClO2P and a molecular weight of 168.56 g/mol. Its IUPAC name is 1-[chloromethyl(ethenyl)phosphoryl]oxyethane.

Molecular Properties

Compound Name1-[chloromethyl(ethenyl)phosphoryl]oxyethane
PubChem CID14973793
Molecular FormulaC5H10ClO2P
Molecular Weight168.56 g/mol
Exact Mass168.01
IUPAC Name1-[chloromethyl(ethenyl)phosphoryl]oxyethane
SMILESC=CP(=O)(CCl)OCC
InChIInChI=1S/C5H10ClO2P/c1-3-8-9(7,4-2)5-6/h4H,2-3,5H2,1H3
InChIKeyNHPGDBDRXZGKIE-UHFFFAOYSA-N
XLogP2.64
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.56
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 1-[chloromethyl(ethenyl)phosphoryl]oxyethane?
The IUPAC name of 1-[chloromethyl(ethenyl)phosphoryl]oxyethane (CID 14973793) is 1-[chloromethyl(ethenyl)phosphoryl]oxyethane.
What is the SMILES notation for 1-[chloromethyl(ethenyl)phosphoryl]oxyethane?
The canonical SMILES for 1-[chloromethyl(ethenyl)phosphoryl]oxyethane is C=CP(=O)(CCl)OCC.
What is the InChIKey of 1-[chloromethyl(ethenyl)phosphoryl]oxyethane?
The InChIKey is NHPGDBDRXZGKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10ClO2P/c1-3-8-9(7,4-2)5-6/h4H,2-3,5H2,1H3.
What are the key properties of 1-[chloromethyl(ethenyl)phosphoryl]oxyethane?
1-[chloromethyl(ethenyl)phosphoryl]oxyethane has a molecular weight of 168.56 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[chloromethyl(ethenyl)phosphoryl]oxyethane is sourced from PubChem (CID 14973793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).