chempirical

Isododecane

C12H26CAS 31807-55-3170.34 g/mol

Open in Covalent MOL file

Properties

Molecular formula
C12H26
Molar mass
170.34 g/mol
Exact mass
170.2035 Da
Boiling point
205–230 °C
logP
4.78Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
8

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
31807-55-3
SMILES
CCCCCCCCCC(C)C
InChIKey
GTJOHISYCKPIMT-UHFFFAOYSA-N
InChI
InChI=1S/C12H26/c1-4-5-6-7-8-9-10-11-12(2)3/h12H,4-11H2,1-3H3

Weigh it out

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

Names and synonyms

7 names
  • Hyfrane 120
  • Permethyl 99A
  • Fancol ID
  • Permethyl 99
  • Purolan IDD
  • Creasil ID-CG
  • 2-Methylundecane

Work with Isododecane

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

2-Methylundecane7045-71-8

Similar compounds

2-Methyloctane3221-61-2100 % similar 2-Methyldecane6975-98-0100 % similar 2-Methylnonane871-83-0100 % similar 2-Methylheptane592-27-894 % similar 2-Methylhexane31394-54-478 % similar 2-Methylhexane591-76-478 % similar 2,7-Dimethyloctane1072-16-865 % similar Pentylcyclohexane4292-92-660 % similar

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

Same formula

Dodecane112-40-3 2,2,4,6,6-Pentamethylheptane13475-82-6 2,2,4,4,6-Pentamethylheptane62199-62-6

Elsewhere

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