chempirical

β-Pinene

C10H16CAS 127-91-3136.24 g/mol

Open in Covalent MOL file
Alkene

Properties

Molecular formula
C10H16
Molar mass
136.24 g/mol
Exact mass
136.1252 Da
Density
0.86 g/mL (at 25 °C)
Melting point
−61.5 °C
Boiling point
166 °C
logP
3.00Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
127-91-3
SMILES
C=C1CCC2CC1C2(C)C
InChIKey
WTARULDDTDQWMU-UHFFFAOYSA-N
InChI
InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h8-9H,1,4-6H2,2-3H3

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Names and synonyms

17 names · show all
  • Bicyclo[3.1.1]heptane, 6,6-dimethyl-2-methylene-
  • 2(10)-Pinene
  • 6,6-Dimethyl-2-methylenebicyclo[3.1.1]heptane
  • Nopinene
  • Terebenthene
  • Pseudopinen
  • Pseudopinene
  • Nopinen
  • PC 600
  • (±)-2(10)-Pinene
  • (±)-β-Pinene
  • (±)-6,6-Dimethyl-2-methylenebicyclo[3.1.1]heptane
  • PC 600 (pesticide)
  • NSC 21447
  • NSC 406265
  • NSC 59190
  • Beta-Pinene

Work with β-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

Beta-eudesmol473-15-443 % similar (-)-α-Pinene7785-26-436 % similar (1R)-α-Pinene7785-70-836 % similar α-Pinene80-56-836 % similar Spathulenol6750-60-336 % similar Sabinene3387-41-534 % similar Pinane473-55-233 % similar cis-Pinane6876-13-733 % similar

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

Same formula

Myrcene123-35-3 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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