Santalol
Properties
- Molecular formula
- C15H24O
- Molar mass
- 220.36 g/mol
- Exact mass
- 220.1827 Da
- Density
- 0.978 g/mL (at 16 °C)
- Boiling point
- 300–310 °C
- logP
- 3.70Crippen estimate
- Polar surface area
- 20.2 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 4
- Stereocentres
- S, S, Rin SMILES atom order
- Double bonds
- EE/Z, in SMILES order
Identifiers
CAS number
11031-45-1SMILES
C/C(=C\CC[C@]1([C@H]2CC[C@H](C2)C1=C)C)/COInChIKey
OJYKYCDSGQGTRJ-INLOORNJSA-NInChI
InChI=1S/C15H24O/c1-11(10-16)5-4-8-15(3)12(2)13-6-7-14(15)9-13/h5,13-14,16H,2,4,6-10H2,1,3H3/b11-5+/t13-,14+,15-/m1/s1Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
1 names
- Rel-(2E)-2-Methyl-5-[(1R,2R,4S)-2-methyl-3-methylenebicyclo[2.2.1]hept-2-yl]-2-penten-1-ol
Work with Santalol
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
Camphene79-92-542 % similar
Ethyl linalool10339-55-633 % similar
Geranyllinalool1113-21-931 % similar
trans-Nerolidol40716-66-331 % similar
Nerolidol7212-44-431 % similar
Bisabolol23089-26-130 % similar
Bisabolol515-69-530 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds