Isocetane

C₁₆H₃₄CAS 4390-04-9226.45 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₆H₃₄
Molar mass: 226.45 g/mol
Exact mass: 226.2661 Da
Boiling point: 240 °C
logP: 5.91Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 4

Identifiers

CAS number

4390-04-9

SMILES

CC(CC(C)(C)C)CC(C)(C)CC(C)(C)C

InChIKey

VCLJODPNBNEBKW-UHFFFAOYSA-N

InChI

InChI=1S/C16H34/c1-13(10-14(2,3)4)11-16(8,9)12-15(5,6)7/h13H,10-12H2,1-9H3

Weigh it out

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

Names and synonyms

4 names

Nonane, 2,2,4,4,6,8,8-heptamethyl-
2,2,4,4,6,8,8-Heptamethylnonane
NSC 77129
(±)-2,2,4,4,6,8,8-Heptamethylnonane

Work with Isocetane

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

2,2,4,6,6-Pentamethylheptane13475-82-667 % similar 2,2,4,4,6-Pentamethylheptane62199-62-660 % similar 2,2,4-Trimethylhexane16747-26-552 % similar 1,1-Bis(tert-butylperoxy)-3,3,5-trimethylcyclohexane6731-36-847 % similar 3,5,5-Trimethyl-1-hexanol3452-97-945 % similar 3,5,5-Trimethylhexanal5435-64-343 % similar 3,3,5-Trimethylcyclohexane3073-66-341 % similar 3,5,5-Trimethylhexanoyl chloride36727-29-441 % similar

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

Same formula

Hexadecane544-76-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia