chempirical

Phellandrene

C10H16CAS 99-83-2136.24 g/mol

Open in Covalent MOL file
Alkene

Properties

Molecular formula
C10H16
Molar mass
136.24 g/mol
Exact mass
136.1252 Da
Density
0.848 g/mL (at 15 °C)
Melting point
below 25 °C
Boiling point
172 °C
logP
3.16Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
1

Identifiers

CAS number
99-83-2
SMILES
CC1=CCC(C(C)C)C=C1
InChIKey
OGLDWXZKYODSOB-UHFFFAOYSA-N
InChI
InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4-6,8,10H,7H2,1-3H3

Weigh it out

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

Names and synonyms

11 names
  • 1,3-Cyclohexadiene, 2-methyl-5-(1-methylethyl)-
  • p-Mentha-1,5-diene
  • 2-Methyl-5-(1-methylethyl)-1,3-cyclohexadiene
  • α-Phellandrene
  • 5-Isopropyl-2-methyl-1,3-cyclohexadiene
  • Menthadiene
  • (±)-α-Phellandrene
  • Alpha-Phellandrene
  • 6-Isopropyl-3-methyl-1,3-Cyclohexadiene
  • Alda-364
  • 2-Methyl-5-propan-2-ylcyclohexa-1,3-diene

Work with 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-Phellandrene4221-98-1100 % similar β-Phellandrene555-10-239 % 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

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