cis-Decalin
Properties
- Molecular formula
- C10H18
- Molar mass
- 138.25 g/mol
- Exact mass
- 138.1409 Da
- Density
- 0.898 g/mL (at 20 °C)
- Melting point
- −42.9 °C
- Boiling point
- 195.8 °C
- logP
- 3.37Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 0
- Stereocentres
- s, sin 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
493-01-6SMILES
C1CC[C@H]2CCCC[C@H]2C1InChIKey
NNBZCPXTIHJBJL-AOOOYVTPNA-NInChI
InChI=1/C10H18/c1-2-6-10-8-4-3-7-9(10)5-1/h9-10H,1-8H2/t9-,10+Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
4 names
- Naphthalene, decahydro-, cis-
- cis-Decahydronaphthalene
- cis-Bicyclo[4.4.0]decane
- cis-Perhydronaphthalene
Work with cis-Decalin
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
Bicyclohexyl92-51-389 % similar
Rel-(3aR,7aS)-Octahydro-1H-isoindole1470-99-150 % similar
cis-1,2-Cyclohexanedimethanol15753-50-150 % similar
Octahydroisoindole21850-12-450 % similar
Rel-(1R,2R)-1,2-Cyclohexanedimethanol25712-33-850 % similar
Rel-(1R,2R)-1,2-Cyclohexanedimethanol65376-05-850 % similar
Decahydroisoquinoline6329-61-947 % similar
Isopropylcyclohexane696-29-747 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds