dimethoxyphosphoryl 2-methylbutanoate

C7H15O5P — CID 174709594

IUPACdimethoxyphosphoryl 2-methylbutanoate
SMILESCCC(C)C(=O)OP(=O)(OC)OC
InChIInChI=1S/C7H15O5P/c1-5-6(2)7(8)12-13(9,10-3)11-4/h6H,5H2,1-4H3
InChIKeyHYLOJZIXEDMVKN-UHFFFAOYSA-N
MW210.17 g/mol
LogP1.98
Rot. Bonds5

About dimethoxyphosphoryl 2-methylbutanoate

dimethoxyphosphoryl 2-methylbutanoate (PubChem CID 174709594) has the molecular formula C7H15O5P and a molecular weight of 210.17 g/mol. Its IUPAC name is dimethoxyphosphoryl 2-methylbutanoate.

Molecular Properties

Compound Namedimethoxyphosphoryl 2-methylbutanoate
PubChem CID174709594
Molecular FormulaC7H15O5P
Molecular Weight210.17 g/mol
Exact Mass210.07
IUPAC Namedimethoxyphosphoryl 2-methylbutanoate
SMILESCCC(C)C(=O)OP(=O)(OC)OC
InChIInChI=1S/C7H15O5P/c1-5-6(2)7(8)12-13(9,10-3)11-4/h6H,5H2,1-4H3
InChIKeyHYLOJZIXEDMVKN-UHFFFAOYSA-N
XLogP1.98
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.17
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze dimethoxyphosphoryl 2-methylbutanoate with MolForge

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

Launch Full Analysis

Related Compounds

ethane;methyl (2R)-2-methylbutanoate
CID 143689114
methane;2-methoxyethyl 2-methylbutanoate
CID 165084023
2-methylbutanoyloxymethyl 2-methylbutanoate
CID 20789926
1,1'-biphenyl;phosphono 2-methylbutanoate
CID 174600883
dimethoxyphosphoryl 2-aminoacetate
CID 150492348
methyl 2-methylbutanoate;methyl 2-methylpropanoate
CID 175395072
ethane;ethyl 2-methylbutanoate
CID 144747106
propyl (2R)-2-methylbutanoate
CID 86306230
methyl 2-methylbutanoate;1,1,1-trifluoroethane
CID 91439197
2-phosphonooxypropyl 2-methylbutanoate
CID 170143581
1,1,1,2,3,3,3-heptafluoropropan-2-yl 2-methylbutanoate
CID 153303704
CID 173066748
CID 173066748

Frequently Asked Questions

What is the IUPAC name of dimethoxyphosphoryl 2-methylbutanoate?
The IUPAC name of dimethoxyphosphoryl 2-methylbutanoate (CID 174709594) is dimethoxyphosphoryl 2-methylbutanoate.
What is the SMILES notation for dimethoxyphosphoryl 2-methylbutanoate?
The canonical SMILES for dimethoxyphosphoryl 2-methylbutanoate is CCC(C)C(=O)OP(=O)(OC)OC.
What is the InChIKey of dimethoxyphosphoryl 2-methylbutanoate?
The InChIKey is HYLOJZIXEDMVKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15O5P/c1-5-6(2)7(8)12-13(9,10-3)11-4/h6H,5H2,1-4H3.
What are the key properties of dimethoxyphosphoryl 2-methylbutanoate?
dimethoxyphosphoryl 2-methylbutanoate has a molecular weight of 210.17 g/mol, XLogP of 1.98, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethoxyphosphoryl 2-methylbutanoate is sourced from PubChem (CID 174709594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).