tris(methoxymethyl) phosphate

C6H15O7P — CID 22620620

IUPACtris(methoxymethyl) phosphate
SMILESCOCOP(=O)(OCOC)OCOC
InChIInChI=1S/C6H15O7P/c1-8-4-11-14(7,12-5-9-2)13-6-10-3/h4-6H2,1-3H3
InChIKeyNUZMKXUXRLWEHH-UHFFFAOYSA-N
MW230.15 g/mol
LogP0.96
Rot. Bonds9

About tris(methoxymethyl) phosphate

tris(methoxymethyl) phosphate (PubChem CID 22620620) has the molecular formula C6H15O7P and a molecular weight of 230.15 g/mol. Its IUPAC name is tris(methoxymethyl) phosphate.

Molecular Properties

Compound Nametris(methoxymethyl) phosphate
PubChem CID22620620
Molecular FormulaC6H15O7P
Molecular Weight230.15 g/mol
Exact Mass230.06
IUPAC Nametris(methoxymethyl) phosphate
SMILESCOCOP(=O)(OCOC)OCOC
InChIInChI=1S/C6H15O7P/c1-8-4-11-14(7,12-5-9-2)13-6-10-3/h4-6H2,1-3H3
InChIKeyNUZMKXUXRLWEHH-UHFFFAOYSA-N
XLogP0.96
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.15
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tris(methoxymethyl) phosphate?
The IUPAC name of tris(methoxymethyl) phosphate (CID 22620620) is tris(methoxymethyl) phosphate.
What is the SMILES notation for tris(methoxymethyl) phosphate?
The canonical SMILES for tris(methoxymethyl) phosphate is COCOP(=O)(OCOC)OCOC.
What is the InChIKey of tris(methoxymethyl) phosphate?
The InChIKey is NUZMKXUXRLWEHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15O7P/c1-8-4-11-14(7,12-5-9-2)13-6-10-3/h4-6H2,1-3H3.
What are the key properties of tris(methoxymethyl) phosphate?
tris(methoxymethyl) phosphate has a molecular weight of 230.15 g/mol, XLogP of 0.96, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tris(methoxymethyl) phosphate is sourced from PubChem (CID 22620620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).