chempirical

α-Pinene

C10H16CAS 80-56-8136.24 g/mol

Open in Covalent MOL file
Alkene

Properties

Molecular formula
C10H16
Molar mass
136.24 g/mol
Exact mass
136.1252 Da
Density
0.8592 g/mL (at 20 °C)
Melting point
−62.5 °C
Boiling point
156 °C (at 2760 Torr)
logP
3.00Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
80-56-8
SMILES
CC1=CCC2CC1C2(C)C
InChIKey
GRWFGVWFFZKLTI-UHFFFAOYSA-N
InChI
InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3

Weigh it out

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

Names and synonyms

12 names
  • Bicyclo[3.1.1]hept-2-ene, 2,6,6-trimethyl-
  • 2-Pinene
  • 2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene
  • PC 500
  • (±)-2-Pinene
  • (±)-α-Pinene
  • PC 500 (terpene)
  • Acintene A
  • NSC 7727
  • Sylvapine A
  • Alpha-Pinene
  • Leavo 95

Work with α-Pinene

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

(-)-α-Pinene7785-26-4100 % similar (1R)-α-Pinene7785-70-8100 % similar (-)-Myrtenol19894-97-455 % similar (S)-Verbenone1196-01-645 % similar Verbenone80-57-945 % similar (-)-Cedrene469-61-438 % similar (+)-3-Carene498-15-736 % similar α-Campholenal4501-58-033 % 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

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