chempirical

(-)-α-Pinene

C10H16CAS 7785-26-4136.24 g/mol

Open in Covalent MOL file
Alkene

Properties

Molecular formula
C10H16
Molar mass
136.24 g/mol
Exact mass
136.1252 Da
Density
0.8496 g/mL (at 30 °C)
Melting point
−61 °C
Boiling point
157 °C
logP
3.00Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0
Stereocentres
S, Sin SMILES atom order

Identifiers

CAS number
7785-26-4
SMILES
CC1=CC[C@H]2C[C@@H]1C2(C)C
InChIKey
GRWFGVWFFZKLTI-IUCAKERBSA-N
InChI
InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3/t8-,9-/m0/s1

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-, (1S,5S)-
  • 2-Pinene, (1S,5S)-(-)-
  • Bicyclo[3.1.1]hept-2-ene, 2,6,6-trimethyl-, (1S)-
  • (1S,5S)-2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene
  • l-α-Pinene
  • (1S,5S)-(-)-α-Pinene
  • (-)-2-Pinene
  • (S)-(-)-α-Pinene
  • (1S)-(-)-α-Pinene
  • (-)-(1S)-α-Pinene
  • 1S-α-Pinene
  • (S)-(-)-Pinene

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

(1R)-α-Pinene7785-70-8100 % similar α-Pinene80-56-8100 % 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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