chempirical

Tetradecylphosphonic acid

C14H31O3PCAS 4671-75-4278.37 g/mol

Open in Covalent MOL file
POOHOH
Phosphonate

Properties

Molecular formula
C14H31O3P
Molar mass
278.37 g/mol
Exact mass
278.2011 Da
Melting point
97–98 °C
logP
4.87Crippen estimate
Polar surface area
57.5 Ų
H-bond donors / acceptors
2 / 1
Rotatable bonds
13

Identifiers

CAS number
4671-75-4
SMILES
CCCCCCCCCCCCCCP(=O)(O)O
InChIKey
BVQJQTMSTANITJ-UHFFFAOYSA-N
InChI
InChI=1S/C14H31O3P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18(15,16)17/h2-14H2,1H3,(H2,15,16,17)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

8 names
  • Phosphonic acid, P-tetradecyl-
  • Phosphonic acid, tetradecyl-
  • P-Tetradecylphosphonic acid
  • 1-Tetradecanephosphonic acid
  • n-Tetradecylphosphonic acid
  • Tetradecanephosphonic acid
  • TDPA
  • 1-Tetradecylphosphonic acid

Work with Tetradecylphosphonic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Octadecylphosphonic acid4724-47-4100 % similar Octylphosphonic acid4724-48-5100 % similar Propylphosphonic acid4672-38-268 % similar Trioctylphosphine oxide78-50-256 % similar (3-Bromopropyl)phosphonic acid1190-09-648 % similar 3-Aminopropylphosphonic acid13138-33-548 % similar Dicetyl phosphate2197-63-945 % similar Monolauryl phosphate2627-35-245 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook