3,5-Dimethylheptane

C₉H₂₀CAS 926-82-9128.26 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₂₀
Molar mass: 128.26 g/mol
Exact mass: 128.1565 Da
Density: 0.7199 g/mL (at 420 °C)
Boiling point: 136 °C
logP: 3.47Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 4

Identifiers

CAS number

926-82-9

SMILES

CCC(C)CC(C)CC

InChIKey

DZJTZGHZAWTWGA-UHFFFAOYSA-N

InChI

InChI=1S/C9H20/c1-5-8(3)7-9(4)6-2/h8-9H,5-7H2,1-4H3

Weigh it out

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

Names and synonyms

1 names

Heptane, 3,5-dimethyl-

Work with 3,5-Dimethylheptane

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

3-Methylpentane96-14-071 % similar (±)-2,4-Dimethylhexane589-43-571 % similar 1,3-Dimethylamylamine105-41-960 % similar 5-Methyl-3-heptanol18720-65-560 % similar 1,3,5-Trimethylcyclohexane1839-63-057 % similar 1-Bromo-2-methylbutane10422-35-253 % similar 2-Methyl-1-butanol137-32-653 % similar (S)-2-Methyl-1-butanol1565-80-653 % similar

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

Same formula

4,4-Dimethyl heptane1068-19-5 2,2,4,4-Tetramethylpentane1070-87-7 Nonane111-84-2 2,2,4-Trimethylhexane16747-26-5 (±)-2,4-Dimethylheptane2213-23-2 3-Methyloctane2216-33-3 2-Methyloctane3221-61-2 2,2,5-Trimethylhexane3522-94-9

Elsewhere

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