methyl phosphate

CH3O4P-2 — CID 12691389

IUPACmethyl phosphate
SMILESCOP(=O)([O-])[O-]
InChIInChI=1S/CH5O4P/c1-5-6(2,3)4/h1H3,(H2,2,3,4)/p-2
InChIKeyCAAULPUQFIIOTL-UHFFFAOYSA-L
MW110.00 g/mol
LogP-1.54
Rot. Bonds1

About methyl phosphate

methyl phosphate (PubChem CID 12691389) has the molecular formula CH3O4P-2 and a molecular weight of 110.00 g/mol. Its IUPAC name is methyl phosphate.

Molecular Properties

Compound Namemethyl phosphate
PubChem CID12691389
Molecular FormulaCH3O4P-2
Molecular Weight110.00 g/mol
Exact Mass109.98
IUPAC Namemethyl phosphate
SMILESCOP(=O)([O-])[O-]
InChIInChI=1S/CH5O4P/c1-5-6(2,3)4/h1H3,(H2,2,3,4)/p-2
InChIKeyCAAULPUQFIIOTL-UHFFFAOYSA-L
XLogP-1.54
TPSA72.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.00
LogP ≤ 5-1.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl phosphate?
The IUPAC name of methyl phosphate (CID 12691389) is methyl phosphate.
What is the SMILES notation for methyl phosphate?
The canonical SMILES for methyl phosphate is COP(=O)([O-])[O-].
What is the InChIKey of methyl phosphate?
The InChIKey is CAAULPUQFIIOTL-UHFFFAOYSA-L. The full InChI is InChI=1S/CH5O4P/c1-5-6(2,3)4/h1H3,(H2,2,3,4)/p-2.
What are the key properties of methyl phosphate?
methyl phosphate has a molecular weight of 110.00 g/mol, XLogP of -1.54, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl phosphate is sourced from PubChem (CID 12691389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).