cis-Pinane
Properties
- Molecular formula
- C10H18
- Molar mass
- 138.25 g/mol
- Exact mass
- 138.1409 Da
- Density
- 0.859 g/mL (at 20 °C)
- Boiling point
- 167–168 °C
- logP
- 3.08Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 0
- Stereocentres
- S, R, 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
6876-13-7SMILES
C[C@H]1CC[C@@H]2C[C@H]1C2(C)CInChIKey
XOKSLPVRUOBDEW-PQCSWJAFNA-NInChI
InChI=1/C10H18/c1-7-4-5-8-6-9(7)10(8,2)3/h7-9H,4-6H2,1-3H3/t7-,8+,9+/s2Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
5 names
- Bicyclo[3.1.1]heptane, 2,6,6-trimethyl-, (1R,2S,5R)-rel-
- Pinane, stereoisomer
- Bicyclo[3.1.1]heptane, 2,6,6-trimethyl-, (1α,2β,5α)-
- Rel-(1R,2S,5R)-2,6,6-Trimethylbicyclo[3.1.1]heptane
- (±)-trans-Pinane
Work with cis-Pinane
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
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
Chlorobis((1S,2R,3S,5S)-2,6,6-trimethylbicyclo(3.1.1)hept-3-yl)borane112246-73-837 % similar
(-)-Diisopinocampheyl chloroborane85116-37-637 % similar
Patchoulol5986-55-036 % similar
Hydrogenated bisphenol A80-04-634 % similar
β-Pinene127-91-333 % similar
(-)-Beta-Pinene18172-67-333 % similar
1,2,4-Trimethylcyclohexane2234-75-532 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds