2-chloroprop-1-enyl dimethyl phosphate

C5H10ClO4P — CID 54493184

IUPAC2-chloroprop-1-enyl dimethyl phosphate
SMILESCOP(=O)(OC)OC=C(C)Cl
InChIInChI=1S/C5H10ClO4P/c1-5(6)4-10-11(7,8-2)9-3/h4H,1-3H3
InChIKeyXXFJBIVYDKXKSX-UHFFFAOYSA-N
MW200.56 g/mol
LogP2.50
Rot. Bonds4

About 2-chloroprop-1-enyl dimethyl phosphate

2-chloroprop-1-enyl dimethyl phosphate (PubChem CID 54493184) has the molecular formula C5H10ClO4P and a molecular weight of 200.56 g/mol. Its IUPAC name is 2-chloroprop-1-enyl dimethyl phosphate.

Molecular Properties

Compound Name2-chloroprop-1-enyl dimethyl phosphate
PubChem CID54493184
Molecular FormulaC5H10ClO4P
Molecular Weight200.56 g/mol
Exact Mass200.00
IUPAC Name2-chloroprop-1-enyl dimethyl phosphate
SMILESCOP(=O)(OC)OC=C(C)Cl
InChIInChI=1S/C5H10ClO4P/c1-5(6)4-10-11(7,8-2)9-3/h4H,1-3H3
InChIKeyXXFJBIVYDKXKSX-UHFFFAOYSA-N
XLogP2.50
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.56
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloroprop-1-enyl dimethyl phosphate?
The IUPAC name of 2-chloroprop-1-enyl dimethyl phosphate (CID 54493184) is 2-chloroprop-1-enyl dimethyl phosphate.
What is the SMILES notation for 2-chloroprop-1-enyl dimethyl phosphate?
The canonical SMILES for 2-chloroprop-1-enyl dimethyl phosphate is COP(=O)(OC)OC=C(C)Cl.
What is the InChIKey of 2-chloroprop-1-enyl dimethyl phosphate?
The InChIKey is XXFJBIVYDKXKSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10ClO4P/c1-5(6)4-10-11(7,8-2)9-3/h4H,1-3H3.
What are the key properties of 2-chloroprop-1-enyl dimethyl phosphate?
2-chloroprop-1-enyl dimethyl phosphate has a molecular weight of 200.56 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloroprop-1-enyl dimethyl phosphate is sourced from PubChem (CID 54493184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).