chempirical

(+)-Pinanediol

C10H18O2CAS 18680-27-8170.25 g/mol

Open in Covalent MOL file
OHOH
Alcohol

Properties

Molecular formula
C10H18O2
Molar mass
170.25 g/mol
Exact mass
170.1307 Da
Melting point
53–56 °C
logP
1.16Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
0
Stereocentres
S, R, S, Sin SMILES atom order

Identifiers

CAS number
18680-27-8
SMILES
CC1(C)[C@@H]2C[C@@H](O)[C@@](C)(O)[C@H]1C2
InChIKey
MOILFCKRQFQVFS-OORONAJNSA-N
InChI
InChI=1S/C10H18O2/c1-9(2)6-4-7(9)10(3,12)8(11)5-6/h6-8,11-12H,4-5H2,1-3H3/t6-,7-,8+,10-/m0/s1

Weigh it out

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

Names and synonyms

10 names
  • Bicyclo[3.1.1]heptane-2,3-diol, 2,6,6-trimethyl-, (1S,2S,3R,5S)-
  • 2,3-Pinanediol, (1S,2S,3R,5S)-(+)-
  • Bicyclo[3.1.1]heptane-2,3-diol, 2,6,6-trimethyl-, [1S-(1α,2α,3α,5α)]-
  • (1S,2S,3R,5S)-2,6,6-Trimethylbicyclo[3.1.1]heptane-2,3-diol
  • 2α,3α-Pinanediol
  • (1S,2S,3R,5S)-(+)-Pinanediol
  • (1S,2S,3R,5S)-(+)-Pinane-2,3-diol
  • (1S,2S,3R,5S)-2,3-Pinanediol
  • (1S,2S,3R,5S)-(+)-2,6,6-Trimethylbicyclo[3.1.1]heptane-2,3-diol
  • (1S,2S,5S)-2,6,6-Trimethylbicyclo[3.1.1]heptane-2,3-diol

Work with (+)-Pinanediol

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

Similar compounds

2-Methyl-2-adamantanol702-98-739 % similar α-Pinene oxide1686-14-237 % similar (1S,2S,5S)-2-Hydroxy-2,6,6-trimethylbicyclo[3.1.1]heptan-3-one1845-25-636 % similar Isoborneol124-76-532 % similar D-Borneol464-43-732 % similar (-)-Borneol464-45-932 % similar Borneol507-70-032 % similar endo-Borneol6627-72-132 % similar

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

Same formula

Methyl 2-nonenoate111-79-5 Hexyl methacrylate142-09-6 Allyl heptanoate142-19-8 9-Decenoic acid14436-32-9 Cyclohexyl butyrate1551-44-6 cis-3-Hexenyl butanoate16491-36-4 1-Octen-3-yl acetate2442-10-6 4-Decenoic acid26303-90-2

Elsewhere

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