Octadecylphosphonic acid

C18H39O3PCAS 4724-47-4334.48 g/mol

Open in Covalent MOL file
POOHOH
Phosphonate

Properties

Molecular formula
C18H39O3P
Molar mass
334.48 g/mol
Exact mass
334.2637 Da
Melting point
98.5–99 °C
logP
6.43Crippen estimate
Polar surface area
57.5 Ų
H-bond donors / acceptors
2 / 1
Rotatable bonds
17

Hazards

Warning
Irritant (GHS07)

Aggregated from 32 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
4724-47-4
SMILES
CCCCCCCCCCCCCCCCCCP(=O)(O)O
InChIKey
FTMKAMVLFVRZQX-UHFFFAOYSA-N
InChI
InChI=1S/C18H39O3P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(19,20)21/h2-18H2,1H3,(H2,19,20,21)

Weigh it out

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

Names and synonyms

9 names
  • Phosphonic acid, P-octadecyl-
  • Phosphonic acid, octadecyl-
  • P-Octadecylphosphonic acid
  • 1-Octadecanephosphonic acid
  • Stearylphosphonic acid
  • n-Octadecylphosphonic acid
  • Octadecanephosphonic acid
  • ODPA
  • 1-Octadecylphosphonic acid

Work with Octadecylphosphonic 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

Tetradecylphosphonic acid4671-75-4100 % similar Hexylphosphonic acid4721-24-8100 % 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 Diethyl decylphosphonate16165-68-745 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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