chempirical

Tetratetracontane

C44H90CAS 7098-22-8619.20 g/mol

Open in Covalent MOL file

Properties

Molecular formula
C44H90
Molar mass
619.20 g/mol
Exact mass
618.7043 Da
Melting point
87–88 °C
Boiling point
548 °C
logP
17.41Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
41

Hazards

Not classified as hazardous under GHS by 5 ECHA notifiers. Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
7098-22-8
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
InChIKey
KMXFZRSJMDYPPG-UHFFFAOYSA-N
InChI
InChI=1S/C44H90/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-44H2,1-2H3

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Names and synonyms

2 names
  • n-Tetratetracontane
  • NSC 102262

Work with Tetratetracontane

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Octane111-65-9100 % similar Nonane111-84-2100 % similar Dodecane112-40-3100 % similar Icosane112-95-8100 % similar Undecane1120-21-4100 % similar Decane124-18-5100 % similar Tetratriacontane14167-59-0100 % similar Heptane142-82-5100 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook