chempirical

β-Phellandrene

C10H16CAS 555-10-2136.24 g/mol

Open in Covalent MOL file
Alkene

Properties

Molecular formula
C10H16
Molar mass
136.24 g/mol
Exact mass
136.1252 Da
Density
0.85 g/mL
Boiling point
171.5 °C
logP
3.16Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
1

Identifiers

CAS number
555-10-2
SMILES
C=C1C=CC(C(C)C)CC1
InChIKey
LFJQCDVYDGGFCH-UHFFFAOYSA-N
InChI
InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,6,8,10H,3,5,7H2,1-2H3

Weigh it out

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

Names and synonyms

8 names
  • Cyclohexene, 3-methylene-6-(1-methylethyl)-
  • p-Mentha-1(7),2-diene
  • 3-Methylene-6-(1-methylethyl)cyclohexene
  • 3-Isopropyl-6-methylene-1-cyclohexene
  • 4-Isopropyl-1-methylene-2-cyclohexene
  • (±)-β-Phellandrene
  • NSC 53044
  • Beta-Phellandrene

Work with β-Phellandrene

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

(-)-α-Phellandrene4221-98-139 % similar Phellandrene99-83-239 % 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