1,4-Cineole
Properties
- Molecular formula
- C10H18O
- Molar mass
- 154.25 g/mol
- Exact mass
- 154.1358 Da
- Density
- 0.8997 g/mL (at 20 °C)
- Melting point
- 1 °C
- Boiling point
- 173–174 °C
- logP
- 2.74Crippen estimate
- Polar surface area
- 9.2 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 1
Identifiers
CAS number
470-67-7SMILES
CC(C)C12CCC(C)(CC1)O2InChIKey
RFFOTVCVTJUTAD-UHFFFAOYSA-NInChI
InChI=1S/C10H18O/c1-8(2)10-6-4-9(3,11-10)5-7-10/h8H,4-7H2,1-3H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
7 names
- 7-Oxabicyclo[2.2.1]heptane, 1-methyl-4-(1-methylethyl)-
- p-Menthane, 1,4-epoxy-
- 7-Oxabicyclo[2.2.1]heptane, 1-isopropyl-4-methyl-
- 1-Methyl-4-(1-methylethyl)-7-oxabicyclo[2.2.1]heptane
- Isocineole
- 1,4-Cineol
- 1-Methyl-4-(propan-2-yl)-7-oxabicyclo[2.2.1]heptane
Work with 1,4-Cineole
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
Eucalyptol470-82-638 % similar
2,3,4-Trimethyl-3-pentanol3054-92-031 % similar
Triptane464-06-230 % similar
Cinmethylin87818-31-330 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds