2-chloroethyl phosphite;prop-1-ene

C5H10ClO3P-2 — CID 21416526

IUPAC2-chloroethyl phosphite;prop-1-ene
SMILESC=CC.[O-]P([O-])OCCCl
InChIInChI=1S/C3H6.C2H4ClO3P/c1-3-2;3-1-2-6-7(4)5/h3H,1H2,2H3;1-2H2/q;-2
InChIKeyXWWHOHKNCAVITI-UHFFFAOYSA-N
MW184.56 g/mol
LogP0.38
Rot. Bonds3

About 2-chloroethyl phosphite;prop-1-ene

2-chloroethyl phosphite;prop-1-ene (PubChem CID 21416526) has the molecular formula C5H10ClO3P-2 and a molecular weight of 184.56 g/mol. Its IUPAC name is 2-chloroethyl phosphite;prop-1-ene.

Molecular Properties

Compound Name2-chloroethyl phosphite;prop-1-ene
PubChem CID21416526
Molecular FormulaC5H10ClO3P-2
Molecular Weight184.56 g/mol
Exact Mass184.01
IUPAC Name2-chloroethyl phosphite;prop-1-ene
SMILESC=CC.[O-]P([O-])OCCCl
InChIInChI=1S/C3H6.C2H4ClO3P/c1-3-2;3-1-2-6-7(4)5/h3H,1H2,2H3;1-2H2/q;-2
InChIKeyXWWHOHKNCAVITI-UHFFFAOYSA-N
XLogP0.38
TPSA55.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.56
LogP ≤ 50.38
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 2-chloroethyl phosphite;prop-1-ene?
The IUPAC name of 2-chloroethyl phosphite;prop-1-ene (CID 21416526) is 2-chloroethyl phosphite;prop-1-ene.
What is the SMILES notation for 2-chloroethyl phosphite;prop-1-ene?
The canonical SMILES for 2-chloroethyl phosphite;prop-1-ene is C=CC.[O-]P([O-])OCCCl.
What is the InChIKey of 2-chloroethyl phosphite;prop-1-ene?
The InChIKey is XWWHOHKNCAVITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6.C2H4ClO3P/c1-3-2;3-1-2-6-7(4)5/h3H,1H2,2H3;1-2H2/q;-2.
What are the key properties of 2-chloroethyl phosphite;prop-1-ene?
2-chloroethyl phosphite;prop-1-ene has a molecular weight of 184.56 g/mol, XLogP of 0.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloroethyl phosphite;prop-1-ene is sourced from PubChem (CID 21416526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).