(+)-Fenchol

C10H18OCAS 2217-02-9154.25 g/mol

Open in Covalent MOL file
OH
Alcohol

Properties

Molecular formula
C10H18O
Molar mass
154.25 g/mol
Exact mass
154.1358 Da
Melting point
43.5 °C
logP
2.19Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0
Stereocentres
S, R, Rin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from 38 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number
2217-02-9
SMILES
CC1(C)[C@H]2CC[C@](C)(C2)[C@H]1O
InChIKey
IAIHUHQCLTYTSF-OYNCUSHFSA-N
InChI
InChI=1S/C10H18O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7-8,11H,4-6H2,1-3H3/t7-,8-,10+/m0/s1
Characterization data

Calculated from the structure, in the form journals print them.

¹H NMR
Predicted ¹H NMR (400 MHz, CDCl₃) δ 3.98 (s, 1H), 2.00 (br s, 1H), 1.51 (m, J = 7.0 Hz, 1H), 1.51 (m, J = 7.0 Hz, 2H), 1.51 (m, J = 7.0 Hz, 2H), 1.51 (m, J = 7.0 Hz, 2H), 0.86 (s, 6H), 0.86 (s, 3H).
¹³C NMR
Predicted ¹³C NMR (101 MHz, CDCl₃) δ 96.8, 51.3, 50.8, 50.8, 43.3, 37.3, 28.8, 18.5, 18.5.
[M + H]+
[M + H]+ Calcd for C10H19O 155.1430
[M + Na]+
[M + Na]+ Calcd for C10H18NaO 177.1250
[M − H]−
[M − H]− Calcd for C10H17O 153.1285
Elemental analysis
Anal. Calcd for C10H18O: C, 77.87; H, 11.76.

Weigh it out

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

Names and synonyms

13 names · show all
  • Bicyclo[2.2.1]heptan-2-ol, 1,3,3-trimethyl-, (1R,2R,4S)-
  • Bicyclo[2.2.1]heptan-2-ol, 1,3,3-trimethyl-, (1R-endo)-
  • (1R,2R,4S)-1,3,3-Trimethylbicyclo[2.2.1]heptan-2-ol
  • (+)-α-Fenchol
  • α-Fenchol, (+)-
  • D-Fenchol
  • α-(+)-Fenchol
  • (+)-α-Fenchyl alcohol
  • (1R-Endo)-Fenchol
  • (1R)-endo-(+)-Fenchyl alcohol
  • (+)-Fenchyl alcohol
  • D-Fenchyl alcohol
  • (1R)-endo-(+)-Fenchol

Work with (+)-Fenchol

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.

Fenchol1632-73-1Stereo not defined

Similar compounds

2,2,4,4-Tetramethylcyclobutane-1,3-diol3010-96-638 % similar Hydrogenated bisphenol A80-04-635 % 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 Citronellal106-23-0 Geraniol106-24-1 Nerol106-25-2 Isoborneol124-76-5 (-)-Linalool126-91-0

Elsewhere

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