Allo-ocimene

C₁₀H₁₆CAS 673-84-7136.24 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₀H₁₆
Molar mass: 136.24 g/mol
Exact mass: 136.1252 Da
Density: 0.8085 g/mL (at 25 °C)
Boiling point: 112–113 °C
logP: 3.48Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 2

Identifiers

CAS number

673-84-7

SMILES

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

InChIKey

GQVMHMFBVWSSPF-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

4 names

2,4,6-Octatriene, 2,6-dimethyl-
Alloocimene
2,6-Dimethyl-2,4,6-octatriene
NSC 406263

Work with Allo-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

6-Methylhepta-3,5-dien-2-one1604-28-044 % similar 2-Methyl-2-butene513-35-941 % similar trans-2-Methyl-2-butenal497-03-038 % similar 2,5-Dimethyl-2,4-hexadiene764-13-638 % similar Lycopene502-65-837 % similar Crocetin27876-94-435 % similar 3-Methyl-2-butenal107-86-831 % similar 4-Methyl-1,3-pentadiene926-56-731 % 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 β-Ocimene13877-91-3 Limonene138-86-3 (-)-β-Pinene18172-67-3 (±)-α-Pinene2437-95-8 Adamantane281-23-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook