β-Ocimene

C₁₀H₁₆CAS 13877-91-3136.24 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₀H₁₆
Molar mass: 136.24 g/mol
Exact mass: 136.1252 Da
Density: 0.8 g/mL (at 204 °C)
Boiling point: 73 °C
logP: 3.48Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 3

Identifiers

CAS number

13877-91-3

SMILES

C=CC(C)=CCC=C(C)C

InChIKey

IHPKGUQCSIINRJ-UHFFFAOYSA-N

InChI

InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,7-8H,1,6H2,2-4H3

Weigh it out

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

Names and synonyms

2 names

1,3,6-Octatriene, 3,7-dimethyl-
3,7-Dimethyl-1,3,6-octatriene

Work with β-Ocimene

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

Prenylthiol5287-45-640 % similar 3,7-Dimethyl-1,6-octadiene2436-90-038 % similar β-Farnesene18794-84-837 % similar 2-Methyl-2-pentene625-27-436 % similar 1-Chloro-3-methyl-2-butene503-60-635 % similar Prenol556-82-135 % similar Prenyl bromide870-63-335 % similar Isoprene78-79-531 % similar

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

Same formula

Myrcene123-35-3 β-Pinene127-91-3 3-Carene13466-78-9 Limonene138-86-3 (-)-β-Pinene18172-67-3 (±)-α-Pinene2437-95-8 Adamantane281-23-2 exo-Tetrahydrodicyclopentadiene2825-82-3

Elsewhere

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