chempirical

2-Methylundecane

C12H26CAS 7045-71-8170.34 g/mol

Open in Covalent MOL file

Properties

Molecular formula
C12H26
Molar mass
170.34 g/mol
Exact mass
170.2035 Da
Density
0.7473 g/mL (at 20 °C)
Boiling point
70–75 °C (at 20 Torr)
logP
4.78Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
8

Hazards

Danger
Flammable (GHS02)Health Hazard (GHS08)

Aggregated from 1,796 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P280, P301+P316, P303+P361+P353, P331, P370+P378, P403+P235, P405, P501

Identifiers

CAS number
7045-71-8
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 and density.

Names and synonyms

1 names
  • Undecane, 2-methyl-

Work with 2-Methylundecane

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

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.

Isododecane31807-55-3

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

PubChem CAS Common Chemistry NIST WebBook