chempirical

Myrcene

C10H16CAS 123-35-3136.24 g/mol

Open in Covalent MOL file
Alkene

Properties

Molecular formula
C10H16
Molar mass
136.24 g/mol
Exact mass
136.1252 Da
Density
0.794 g/mL (at 20 °C)
Melting point
below −10 °C
Boiling point
167 °C
logP
3.48Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
4

Identifiers

CAS number
123-35-3
SMILES
C=CC(=C)CCC=C(C)C
InChIKey
UAHWPYUMFXYFJY-UHFFFAOYSA-N
InChI
InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,7H,1,4,6,8H2,2-3H3

Weigh it out

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

Names and synonyms

8 names
  • 1,6-Octadiene, 7-methyl-3-methylene-
  • Beta-Myrcene
  • 7-Methyl-3-methylene-1,6-octadiene
  • β-Myrcene
  • 2-Methyl-6-methylene-2,7-octadiene
  • 3-Methylene-7-methyl-1,6-octadiene
  • β-Geraniolene
  • NSC 406264

Work with Myrcene

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

β-Farnesene18794-84-882 % similar Squalene111-02-445 % similar Sulcatone110-93-043 % similar Geraniol106-24-139 % similar Nerol106-25-239 % similar Thiogeraniol39067-80-639 % similar Geranyl bromide6138-90-539 % similar trans-Farnesol106-28-538 % similar

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

Same formula

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 exo-Tetrahydrodicyclopentadiene2825-82-3

Elsewhere

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