dimethyl phosphate

C2H6O4P- — CID 3753418

IUPACdimethyl phosphate
SMILESCOP(=O)([O-])OC
InChIInChI=1S/C2H7O4P/c1-5-7(3,4)6-2/h1-2H3,(H,3,4)/p-1
InChIKeyKKUKTXOBAWVSHC-UHFFFAOYSA-M
MW125.04 g/mol
LogP-0.25
Rot. Bonds2

About dimethyl phosphate

dimethyl phosphate (PubChem CID 3753418) has the molecular formula C2H6O4P- and a molecular weight of 125.04 g/mol. Its IUPAC name is dimethyl phosphate.

Molecular Properties

Compound Namedimethyl phosphate
PubChem CID3753418
Molecular FormulaC2H6O4P-
Molecular Weight125.04 g/mol
Exact Mass125.00
IUPAC Namedimethyl phosphate
SMILESCOP(=O)([O-])OC
InChIInChI=1S/C2H7O4P/c1-5-7(3,4)6-2/h1-2H3,(H,3,4)/p-1
InChIKeyKKUKTXOBAWVSHC-UHFFFAOYSA-M
XLogP-0.25
TPSA58.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.04
LogP ≤ 5-0.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Dimethyl phosphate
CID 13134
Trimethyl Phosphate
CID 10541
Monomethyl phosphate
CID 13130
Phosphonic acid, dimethyl ester
CID 13361
Dimethoxy(oxo)phosphanium
CID 6327114
Phosphorochloridic acid, dimethyl ester
CID 101863
Methyl Phosphate
CID 12691389
Methyl methylphosphinate
CID 14184540
Sodium dimethyl phosphate
CID 23663684
Dimethyl phosphate, potassium salt
CID 23666574
Diphosphoric acid, P,P'-dimethyl ester, zinc salt (1:1)
CID 111672
Dimethyl bromophosphate
CID 12547146

Frequently Asked Questions

What is the IUPAC name of dimethyl phosphate?
The IUPAC name of dimethyl phosphate (CID 3753418) is dimethyl phosphate.
What is the SMILES notation for dimethyl phosphate?
The canonical SMILES for dimethyl phosphate is COP(=O)([O-])OC.
What is the InChIKey of dimethyl phosphate?
The InChIKey is KKUKTXOBAWVSHC-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H7O4P/c1-5-7(3,4)6-2/h1-2H3,(H,3,4)/p-1.
What are the key properties of dimethyl phosphate?
dimethyl phosphate has a molecular weight of 125.04 g/mol, XLogP of -0.25, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl phosphate is sourced from PubChem (CID 3753418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).