1-[chloro(methoxy)phosphoryl]-2-methylpropan-1-one

C5H10ClO3P — CID 134993422

IUPAC1-[chloro(methoxy)phosphoryl]-2-methylpropan-1-one
SMILESCOP(=O)(Cl)C(=O)C(C)C
InChIInChI=1S/C5H10ClO3P/c1-4(2)5(7)10(6,8)9-3/h4H,1-3H3
InChIKeyIADTVNZOEYJQIK-UHFFFAOYSA-N
MW184.56 g/mol
LogP2.25
Rot. Bonds3

About 1-[chloro(methoxy)phosphoryl]-2-methylpropan-1-one

1-[chloro(methoxy)phosphoryl]-2-methylpropan-1-one (PubChem CID 134993422) has the molecular formula C5H10ClO3P and a molecular weight of 184.56 g/mol. Its IUPAC name is 1-[chloro(methoxy)phosphoryl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[chloro(methoxy)phosphoryl]-2-methylpropan-1-one
PubChem CID134993422
Molecular FormulaC5H10ClO3P
Molecular Weight184.56 g/mol
Exact Mass184.01
IUPAC Name1-[chloro(methoxy)phosphoryl]-2-methylpropan-1-one
SMILESCOP(=O)(Cl)C(=O)C(C)C
InChIInChI=1S/C5H10ClO3P/c1-4(2)5(7)10(6,8)9-3/h4H,1-3H3
InChIKeyIADTVNZOEYJQIK-UHFFFAOYSA-N
XLogP2.25
TPSA43.37 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 ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[chloro(methoxy)phosphoryl]-2-methylpropan-1-one?
The IUPAC name of 1-[chloro(methoxy)phosphoryl]-2-methylpropan-1-one (CID 134993422) is 1-[chloro(methoxy)phosphoryl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[chloro(methoxy)phosphoryl]-2-methylpropan-1-one?
The canonical SMILES for 1-[chloro(methoxy)phosphoryl]-2-methylpropan-1-one is COP(=O)(Cl)C(=O)C(C)C.
What is the InChIKey of 1-[chloro(methoxy)phosphoryl]-2-methylpropan-1-one?
The InChIKey is IADTVNZOEYJQIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10ClO3P/c1-4(2)5(7)10(6,8)9-3/h4H,1-3H3.
What are the key properties of 1-[chloro(methoxy)phosphoryl]-2-methylpropan-1-one?
1-[chloro(methoxy)phosphoryl]-2-methylpropan-1-one has a molecular weight of 184.56 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[chloro(methoxy)phosphoryl]-2-methylpropan-1-one is sourced from PubChem (CID 134993422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).