chempirical

Decalin

C10H18CAS 91-17-8138.25 g/mol

Open in Covalent MOL file

Properties

Molecular formula
C10H18
Molar mass
138.25 g/mol
Exact mass
138.1409 Da
Density
0.8965 g/mL (at 22 °C)
Melting point
−43 °C
Boiling point
155.5 °C
logP
3.37Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
91-17-8
SMILES
C1CCC2CCCCC2C1
InChIKey
NNBZCPXTIHJBJL-UHFFFAOYSA-N
InChI
InChI=1S/C10H18/c1-2-6-10-8-4-3-7-9(10)5-1/h9-10H,1-8H2

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

9 names
  • Naphthalene, decahydro-
  • Decahydronaphthalene
  • Bicyclo[4.4.0]decane
  • Dec
  • Naphthan
  • Perhydronaphthalene
  • Dekalin
  • Decaline
  • NSC 406139

Work with 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

Similar compounds

Bicyclohexyl92-51-389 % similar Rel-(3ar,7as)-octahydro-1H-isoindole1470-99-150 % similar cis-1,2-Cyclohexanedimethanol15753-50-150 % similar Rel-(1R,2R)-1,2-cyclohexanedimethanol25712-33-850 % similar Decahydroisoquinoline6329-61-947 % similar Isopropylcyclohexane696-29-747 % similar Decahydro-2-naphthalenol825-51-444 % similar 1-Cyclopentylethanol52829-98-841 % similar

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

Same formula

1,9-Decadiene1647-16-1 5-Decyne1942-46-7 3,7-Dimethyl-1,6-octadiene2436-90-0 Pinane473-55-2 cis-Decalin493-01-6 trans-Decalin493-02-7 cis-Pinane6876-13-7 1-Decyne764-93-2

Elsewhere

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