trimethyl phosphate

C3H9O4P — CID 10541

IUPACtrimethyl phosphate
SMILESCOP(=O)(OC)OC
InChIInChI=1S/C3H9O4P/c1-5-8(4,6-2)7-3/h1-3H3
InChIKeyWVLBCYQITXONBZ-UHFFFAOYSA-N
MW140.07 g/mol
LogP1.03
Rot. Bonds3

About trimethyl phosphate

trimethyl phosphate (PubChem CID 10541) has the molecular formula C3H9O4P and a molecular weight of 140.07 g/mol. Its IUPAC name is trimethyl phosphate.

Molecular Properties

Compound Nametrimethyl phosphate
PubChem CID10541
Molecular FormulaC3H9O4P
Molecular Weight140.07 g/mol
Exact Mass140.02
IUPAC Nametrimethyl phosphate
SMILESCOP(=O)(OC)OC
InChIInChI=1S/C3H9O4P/c1-5-8(4,6-2)7-3/h1-3H3
InChIKeyWVLBCYQITXONBZ-UHFFFAOYSA-N
XLogP1.03
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.07
LogP ≤ 51.03
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
Dimethyl methylphosphonate
CID 12958
Dimethyl acid pyrophosphate
CID 97004
Dimethoxy(oxo)phosphanium
CID 6327114
P,P,P',P'-Tetramethyl (diphosphate)
CID 120330
Diphosphoric(III,V) acid, tetramethyl ester
CID 14031
Diphosphoric acid, dimethyl ester
CID 172142
Trimethoxyphosphorane
CID 125811
Dimethyl phosphate anion
CID 3753418
Sodium dimethyl phosphate
CID 23663684
Dimethyl phosphate, potassium salt
CID 23666574
Diphosphoric acid, P,P,P'-trimethyl ester
CID 116843

Frequently Asked Questions

What is the IUPAC name of trimethyl phosphate?
The IUPAC name of trimethyl phosphate (CID 10541) is trimethyl phosphate.
What is the SMILES notation for trimethyl phosphate?
The canonical SMILES for trimethyl phosphate is COP(=O)(OC)OC.
What is the InChIKey of trimethyl phosphate?
The InChIKey is WVLBCYQITXONBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9O4P/c1-5-8(4,6-2)7-3/h1-3H3.
What are the key properties of trimethyl phosphate?
trimethyl phosphate has a molecular weight of 140.07 g/mol, XLogP of 1.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl phosphate is sourced from PubChem (CID 10541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).