chempirical

(-)-α-Phellandrene

C10H16CAS 4221-98-1136.24 g/mol

Open in Covalent MOL file
Alkene

Properties

Molecular formula
C10H16
Molar mass
136.24 g/mol
Exact mass
136.1252 Da
Density
0.8358 g/mL (at 20 °C)
Boiling point
173–175 °C
logP
3.16Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
1
Stereocentres
Rin SMILES atom order

Identifiers

CAS number
4221-98-1
SMILES
CC1=CC[C@H](C(C)C)C=C1
InChIKey
OGLDWXZKYODSOB-SNVBAGLBSA-N
InChI
InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4-6,8,10H,7H2,1-3H3/t10-/m1/s1

Weigh it out

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

Names and synonyms

12 names
  • 1,3-Cyclohexadiene, 2-methyl-5-(1-methylethyl)-, (5R)-
  • p-Mentha-1,5-diene, (R)-(-)-
  • 1,3-Cyclohexadiene, 2-methyl-5-(1-methylethyl)-, (R)-
  • p-Mentha-1,5-diene, (-)-
  • (5R)-2-Methyl-5-(1-methylethyl)-1,3-cyclohexadiene
  • l-α-Phellandrene
  • α-Phellandrene, (-)-
  • (-)-(R)-α-Phellandrene
  • (R)-(-)-α-Phellandrene
  • (R)-α-Phellandrene
  • (5R)-2-Methyl-5-propan-2-ylcyclohexa-1,3-diene
  • (R)-5-Isopropyl-2-methylcyclohexa-1,3-diene

Work with (-)-α-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

Phellandrene99-83-2100 % 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

PubChem CAS Common Chemistry NIST WebBook