[chlorooxy(2,2-dimethylpropanoyloxymethoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate

C12H22ClO8P — CID 90994567

IUPAC[chlorooxy(2,2-dimethylpropanoyloxymethoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OCOP(=O)(OCl)OCOC(=O)C(C)(C)C
InChIInChI=1S/C12H22ClO8P/c1-11(2,3)9(14)17-7-19-22(16,21-13)20-8-18-10(15)12(4,5)6/h7-8H2,1-6H3
InChIKeyUGGLKLULPKEFAE-UHFFFAOYSA-N
MW360.73 g/mol
LogP3.39
Rot. Bonds7

About [chlorooxy(2,2-dimethylpropanoyloxymethoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate

[chlorooxy(2,2-dimethylpropanoyloxymethoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate (PubChem CID 90994567) has the molecular formula C12H22ClO8P and a molecular weight of 360.73 g/mol. Its IUPAC name is [chlorooxy(2,2-dimethylpropanoyloxymethoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[chlorooxy(2,2-dimethylpropanoyloxymethoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate
PubChem CID90994567
Molecular FormulaC12H22ClO8P
Molecular Weight360.73 g/mol
Exact Mass360.07
IUPAC Name[chlorooxy(2,2-dimethylpropanoyloxymethoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OCOP(=O)(OCl)OCOC(=O)C(C)(C)C
InChIInChI=1S/C12H22ClO8P/c1-11(2,3)9(14)17-7-19-22(16,21-13)20-8-18-10(15)12(4,5)6/h7-8H2,1-6H3
InChIKeyUGGLKLULPKEFAE-UHFFFAOYSA-N
XLogP3.39
TPSA97.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.73
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze [chlorooxy(2,2-dimethylpropanoyloxymethoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate 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 [chlorooxy(2,2-dimethylpropanoyloxymethoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate?
The IUPAC name of [chlorooxy(2,2-dimethylpropanoyloxymethoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate (CID 90994567) is [chlorooxy(2,2-dimethylpropanoyloxymethoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate.
What is the SMILES notation for [chlorooxy(2,2-dimethylpropanoyloxymethoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate?
The canonical SMILES for [chlorooxy(2,2-dimethylpropanoyloxymethoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate is CC(C)(C)C(=O)OCOP(=O)(OCl)OCOC(=O)C(C)(C)C.
What is the InChIKey of [chlorooxy(2,2-dimethylpropanoyloxymethoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate?
The InChIKey is UGGLKLULPKEFAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22ClO8P/c1-11(2,3)9(14)17-7-19-22(16,21-13)20-8-18-10(15)12(4,5)6/h7-8H2,1-6H3.
What are the key properties of [chlorooxy(2,2-dimethylpropanoyloxymethoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate?
[chlorooxy(2,2-dimethylpropanoyloxymethoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate has a molecular weight of 360.73 g/mol, XLogP of 3.39, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [chlorooxy(2,2-dimethylpropanoyloxymethoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate is sourced from PubChem (CID 90994567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).