Isoborneol

C10H18OCAS 124-76-5154.25 g/mol

Open in Covalent MOL file
OH
Alcohol

Properties

Molecular formula
C10H18O
Molar mass
154.25 g/mol
Exact mass
154.1358 Da
Density
0.9867 g/mL (at 20 °C)
Melting point
213 °C
Boiling point
76–77 °C (at 3 Torr)
logP
2.19Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0
Stereocentres
S, S, Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
124-76-5
SMILES
CC1(C)[C@H]2CC[C@]1(C)[C@@H](O)C2
InChIKey
DTGKSKDOIYIVQL-AFAAIUEZNA-N
InChI
InChI=1/C10H18O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7-8,11H,4-6H2,1-3H3/t7-,8-,10+/s2

Weigh it out

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

Names and synonyms

9 names
  • Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, (1R,2R,4R)-rel-
  • Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, exo-
  • Rel-(1R,2R,4R)-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-ol
  • Isobornyl alcohol
  • exo-2-Hydroxy-1,7,7-trimethylnorbornane
  • 2-exo-Bornyl alcohol
  • (±)-Isoborneol
  • Dl-Isoborneol
  • NSC 26350

Work with Isoborneol

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 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.

Borneol507-70-0Diastereomer (-)-Borneol464-45-9Diastereomer endo-Borneol6627-72-1Diastereomer D-Borneol464-43-7Diastereomer

Similar compounds

(+)-Bornylamine32511-34-555 % similar Isobornyl acetate125-12-244 % similar (+)-Borneol acetate20347-65-344 % similar (-)-Bornyl acetate5655-61-844 % similar Patchoulol5986-55-044 % similar Bornyl acetate76-49-344 % similar Isobornyl acrylate5888-33-540 % similar Isobornyl isovalerate7779-73-940 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

p-Menthan-3-one10458-14-7 (-)-α-Terpineol10482-56-1 3-Decen-2-one10519-33-2 Citric106-23-0 Geraniol106-24-1 Nerol106-25-2 (-)-Linalool126-91-0 Menthone14073-97-3

Elsewhere

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