3-Ethyl-2-methylpentane

C₈H₁₈CAS 609-26-7114.23 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₁₈
Molar mass: 114.23 g/mol
Exact mass: 114.1409 Da
Density: 0.7084 g/mL (at 15 °C)
Melting point: −114.9 °C
Boiling point: 115.6 °C
logP: 3.08Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 3

Identifiers

CAS number

609-26-7

SMILES

CCC(CC)C(C)C

InChIKey

DUPUVYJQZSLSJB-UHFFFAOYSA-N

InChI

InChI=1S/C8H18/c1-5-8(6-2)7(3)4/h7-8H,5-6H2,1-4H3

Weigh it out

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

Names and synonyms

3 names

Pentane, 3-ethyl-2-methyl-
2-Methyl-3-ethylpentane
NSC 73955

Work with 3-Ethyl-2-methylpentane

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

2,3-Dimethylpentane565-59-350 % similar 2-Methyl-3-pentanol565-67-345 % similar (-)-2-Butanol14898-79-442 % similar (±)-2-Butanol15892-23-642 % similar (+)-2-Butanol4221-99-242 % similar Isopropylcyclohexane696-29-742 % similar 2-Butanol78-92-242 % similar Isopentane78-78-441 % similar

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

Same formula

Octane111-65-9 2,2,4-Trimethylpentane540-84-1 2,2,3-Trimethylpentane564-02-3 2,3,4-Trimethylpentane565-75-3 3,4-Dimethylhexane583-48-2 2,3-Dimethylhexane584-94-1 (±)-2,4-Dimethylhexane589-43-5 4-Methylheptane589-53-7

Elsewhere

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