butyl dimethoxyphosphorylformate

C7H15O5P — CID 512108

IUPACbutyl dimethoxyphosphorylformate
SMILESCCCCOC(=O)P(=O)(OC)OC
InChIInChI=1S/C7H15O5P/c1-4-5-6-12-7(8)13(9,10-2)11-3/h4-6H2,1-3H3
InChIKeyAVMOQPPSZHDSEA-UHFFFAOYSA-N
MW210.17 g/mol
LogP2.41
Rot. Bonds6

About butyl dimethoxyphosphorylformate

butyl dimethoxyphosphorylformate (PubChem CID 512108) has the molecular formula C7H15O5P and a molecular weight of 210.17 g/mol. Its IUPAC name is butyl dimethoxyphosphorylformate.

Molecular Properties

Compound Namebutyl dimethoxyphosphorylformate
PubChem CID512108
Molecular FormulaC7H15O5P
Molecular Weight210.17 g/mol
Exact Mass210.07
IUPAC Namebutyl dimethoxyphosphorylformate
SMILESCCCCOC(=O)P(=O)(OC)OC
InChIInChI=1S/C7H15O5P/c1-4-5-6-12-7(8)13(9,10-2)11-3/h4-6H2,1-3H3
InChIKeyAVMOQPPSZHDSEA-UHFFFAOYSA-N
XLogP2.41
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.17
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze butyl dimethoxyphosphorylformate 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

Phosphinecarboxylic acid, 1,1-diethoxy-, ethyl ester, 1-oxide
CID 65081
Phosphinecarboxylic acid, 1,1-diethoxy-, methyl ester, 1-oxide
CID 170573
Ethoxy(ethoxycarbonyl)phosphinic acid
CID 511879
Phosphinecarboxylic acid, dihydroxy-, propyl ester, oxide
CID 512085
Phosphinecarboxylic acid, butoxyhydroxy-, methyl ester, oxide
CID 512098
Phosphinecarboxylic acid, dimethoxy-, 1-methylethyl ester, oxide
CID 512107
Phosphinecarboxylic acid, dibutoxy-, methyl ester, oxide
CID 512112
Disodium butoxycarbonylphosphonate
CID 13077922
Sodium butyl methoxycarbonylphosphonate
CID 23679406
Ethyl sodium (ethoxycarbonyl)phosphonate
CID 23679407
Di-ethoxy carbomethoxy phosphonate
CID 53662173
Butoxycarbonylphosphonic acid
CID 13077923

Frequently Asked Questions

What is the IUPAC name of butyl dimethoxyphosphorylformate?
The IUPAC name of butyl dimethoxyphosphorylformate (CID 512108) is butyl dimethoxyphosphorylformate.
What is the SMILES notation for butyl dimethoxyphosphorylformate?
The canonical SMILES for butyl dimethoxyphosphorylformate is CCCCOC(=O)P(=O)(OC)OC.
What is the InChIKey of butyl dimethoxyphosphorylformate?
The InChIKey is AVMOQPPSZHDSEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15O5P/c1-4-5-6-12-7(8)13(9,10-2)11-3/h4-6H2,1-3H3.
What are the key properties of butyl dimethoxyphosphorylformate?
butyl dimethoxyphosphorylformate has a molecular weight of 210.17 g/mol, XLogP of 2.41, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butyl dimethoxyphosphorylformate is sourced from PubChem (CID 512108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).