Cinmethylin
Properties
- Molecular formula
- C18H26O2
- Molar mass
- 274.40 g/mol
- Exact mass
- 274.1933 Da
- Melting point
- below 25 °C
- Boiling point
- 313 °C
- logP
- 4.25Crippen estimate
- Polar surface area
- 18.5 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 4
- Stereocentres
- S, S, Rin SMILES atom order
Hazards
No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library
Identifiers
CAS number
87818-31-3SMILES
Cc1ccccc1CO[C@H]1C[C@]2(C(C)C)CC[C@@]1(C)O2InChIKey
QMTNOLKHSWIQBE-FFRIMDHNNA-NInChI
InChI=1/C18H26O2/c1-13(2)18-10-9-17(4,20-18)16(11-18)19-12-15-8-6-5-7-14(15)3/h5-8,13,16H,9-12H2,1-4H3/t16-,17+,18-/s2Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
7 names
- 7-Oxabicyclo[2.2.1]heptane, 1-methyl-4-(1-methylethyl)-2-[(2-methylphenyl)methoxy]-, (1R,2S,4S)-rel-
- 7-Oxabicyclo[2.2.1]heptane, 1-methyl-4-(1-methylethyl)-2-[(2-methylphenyl)methoxy]-, exo-(±)-
- Rel-(1R,2S,4S)-1-Methyl-4-(1-methylethyl)-2-[(2-methylphenyl)methoxy]-7-oxabicyclo[2.2.1]heptane
- Cinch
- 7-Oxabicyclo[2.2.1]heptane, 1-methyl-4-(1-methylethyl)-2-[(2-methylphenyl)methoxy]-, exo-
- SD 95481
- (±)-2-exo-(2-Methylbenzyloxy)-1-methyl-4-isopropyl-7-oxabicyclo[2.2.1]heptane
Work with Cinmethylin
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
1-Ethyl-2-methylbenzene611-14-331 % similar
1,4-Cineole470-67-730 % similar
2-Methylbenzyl chloride552-45-430 % similar
2-Methylbenzyl bromide89-92-930 % similar
2-Methylbenzylamine89-93-030 % similar
2-Methylbenzyl alcohol89-95-230 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds