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
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
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds