5-Methyl-3-heptanol

C₈H₁₈OCAS 18720-65-5130.23 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₁₈O
Molar mass: 130.23 g/mol
Exact mass: 130.1358 Da
Density: 0.8493 g/mL (at 0 °C)
Melting point: −91.2 °C
Boiling point: 172 °C
logP: 2.19Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 4

Hazards

Warning

H319 Causes serious eye irritation100% of notifiers

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264+P265, P280, P305+P351+P338, P337+P317

Identifiers

CAS number

18720-65-5

SMILES

CCC(C)CC(O)CC

InChIKey

SECKOSOTZOBWEI-UHFFFAOYSA-N

InChI

InChI=1S/C8H18O/c1-4-7(3)6-8(9)5-2/h7-9H,4-6H2,1-3H3

Weigh it out

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

Names and synonyms

2 names

3-Heptanol, 5-methyl-
5-Methylheptan-3-ol

Work with 5-Methyl-3-heptanol

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

3,5-Dimethylheptane926-82-960 % similar 3-Pentanol584-02-155 % similar 3,5-Dimethylcyclohexanol5441-52-155 % similar (±)-2,4-Dimethylhexane589-43-552 % similar (3R,6R)-3,6-Octanediol129619-37-050 % similar 3-Methylpentane96-14-050 % similar 1,3-Dimethylamylamine105-41-946 % similar 2,6,8-Trimethyl-4-nonanol123-17-146 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Ethylhexanol104-76-7 1-Octanol111-87-5 2-Octanol123-96-6 Dibutyl ether142-96-1 2,5-Dimethyl-3-hexanol19550-07-3 4-Ethyl-3-hexanol19780-44-0 3-Octanol20296-29-1 Isooctan-1-ol26952-21-6

Elsewhere

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