bis(acetyloxymethoxy)phosphoryloxymethyl acetate

C9H15O10P — CID 54102653

IUPACbis(acetyloxymethoxy)phosphoryloxymethyl acetate
SMILESCC(=O)OCOP(=O)(OCOC(C)=O)OCOC(C)=O
InChIInChI=1S/C9H15O10P/c1-7(10)14-4-17-20(13,18-5-15-8(2)11)19-6-16-9(3)12/h4-6H2,1-3H3
InChIKeyNBOXDRIQOJYVTJ-UHFFFAOYSA-N
MW314.18 g/mol
LogP0.71
Rot. Bonds9

About bis(acetyloxymethoxy)phosphoryloxymethyl acetate

bis(acetyloxymethoxy)phosphoryloxymethyl acetate (PubChem CID 54102653) has the molecular formula C9H15O10P and a molecular weight of 314.18 g/mol. Its IUPAC name is bis(acetyloxymethoxy)phosphoryloxymethyl acetate.

Molecular Properties

Compound Namebis(acetyloxymethoxy)phosphoryloxymethyl acetate
PubChem CID54102653
Molecular FormulaC9H15O10P
Molecular Weight314.18 g/mol
Exact Mass314.04
IUPAC Namebis(acetyloxymethoxy)phosphoryloxymethyl acetate
SMILESCC(=O)OCOP(=O)(OCOC(C)=O)OCOC(C)=O
InChIInChI=1S/C9H15O10P/c1-7(10)14-4-17-20(13,18-5-15-8(2)11)19-6-16-9(3)12/h4-6H2,1-3H3
InChIKeyNBOXDRIQOJYVTJ-UHFFFAOYSA-N
XLogP0.71
TPSA123.66 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.18
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze bis(acetyloxymethoxy)phosphoryloxymethyl acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bis(acetyloxymethoxy)phosphoryloxymethyl acetate?
The IUPAC name of bis(acetyloxymethoxy)phosphoryloxymethyl acetate (CID 54102653) is bis(acetyloxymethoxy)phosphoryloxymethyl acetate.
What is the SMILES notation for bis(acetyloxymethoxy)phosphoryloxymethyl acetate?
The canonical SMILES for bis(acetyloxymethoxy)phosphoryloxymethyl acetate is CC(=O)OCOP(=O)(OCOC(C)=O)OCOC(C)=O.
What is the InChIKey of bis(acetyloxymethoxy)phosphoryloxymethyl acetate?
The InChIKey is NBOXDRIQOJYVTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15O10P/c1-7(10)14-4-17-20(13,18-5-15-8(2)11)19-6-16-9(3)12/h4-6H2,1-3H3.
What are the key properties of bis(acetyloxymethoxy)phosphoryloxymethyl acetate?
bis(acetyloxymethoxy)phosphoryloxymethyl acetate has a molecular weight of 314.18 g/mol, XLogP of 0.71, 9 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis(acetyloxymethoxy)phosphoryloxymethyl acetate is sourced from PubChem (CID 54102653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).