chempirical

Retene

C18H18CAS 483-65-8234.34 g/mol

Open in Covalent MOL file

Properties

Molecular formula
C18H18
Molar mass
234.34 g/mol
Exact mass
234.1409 Da
Density
1.1252 g/mL (at 20 °C)
Melting point
101 °C
Boiling point
390 °C
logP
5.42Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
1

Identifiers

CAS number
483-65-8
SMILES
Cc1cccc2c1ccc1cc(C(C)C)ccc12
InChIKey
NXLOLUFNDSBYTP-UHFFFAOYSA-N
InChI
InChI=1S/C18H18/c1-12(2)14-7-10-17-15(11-14)8-9-16-13(3)5-4-6-18(16)17/h4-12H,1-3H3

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Names and synonyms

7 names
  • Phenanthrene, 1-methyl-7-(1-methylethyl)-
  • Phenanthrene, 7-isopropyl-1-methyl-
  • 1-Methyl-7-(1-methylethyl)phenanthrene
  • 7-Isopropyl-1-methylphenanthrene
  • 1-Methyl-7-isopropylphenanthrene
  • NSC 26317
  • 1-Methyl-7-propan-2-ylphenanthrene

Work with Retene

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

2,6-Diisopropylnaphthalene24157-81-152 % similar 2-Isopropylnaphthalene2027-17-050 % similar 1,5-Dimethylnaphthalene571-61-947 % similar 1,3-Diisopropylbenzene99-62-744 % similar Guaiazulene489-84-943 % similar 1,6-Dimethylnaphthalene575-43-943 % similar 2,3,5-Trimethylnaphthalene2245-38-743 % similar Carvacrol499-75-242 % similar

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

Same formula

Cyclooctadecanonaene2040-73-5

Elsewhere

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