Spathulenol
Properties
- Molecular formula
- C15H24O
- Molar mass
- 220.36 g/mol
- Exact mass
- 220.1827 Da
- Boiling point
- 284.7 °C
- logP
- 3.39Crippen estimate
- Polar surface area
- 20.2 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 0
- Stereocentres
- R, R, R, R, Sin SMILES atom order
Hazards
No GHS classification is on file for this compound. That is not evidence that it is harmless.
Identifiers
CAS number
6750-60-3SMILES
C=C1CC[C@@H]2[C@H]([C@H]3[C@H]1CC[C@]3(C)O)C2(C)CInChIKey
FRMCCTDTYSRUBE-BGPZULBFSA-NInChI
InChI=1S/C15H24O/c1-9-5-6-11-13(14(11,2)3)12-10(9)7-8-15(12,4)16/h10-13,16H,1,5-8H2,2-4H3/t10-,11+,12+,13+,15-/m0/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
9 names
- 1H-Cycloprop[e]azulen-7-ol, decahydro-1,1,7-trimethyl-4-methylene-, (1aR,4aR,7S,7aR,7bR)-
- 1H-Cycloprop[e]azulen-7-ol, decahydro-1,1,7-trimethyl-4-methylene-, [1aR-(1aα,4aα,7β,7aβ,7bα)]-
- 1H-Cycloprop[e]azulen-7-ol, decahydro-1,1,7-trimethyl-4-methylene-
- (1aR,4aR,7S,7aR,7bR)-Decahydro-1,1,7-trimethyl-4-methylene-1H-cycloprop[e]azulen-7-ol
- Espatulenol
- (+)-Spathulenol
- Spainulenol
- Sibachun
- (1AR,4aR,7S,7aR,7bR)-1,1,7-trimethyl-4-methylenedecahydro-1H-cyclopropa[e]azulen-7-ol
Work with Spathulenol
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
β-Pinene127-91-336 % similar
(-)-Beta-Pinene18172-67-336 % similar
Alismoxide87701-68-631 % similar
Caryophyllene87-44-531 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.