(1S,2S,3S,5R)-2,6,6-Trimethylbicyclo[3.1.1]heptane-3-carboxylic acid

CAS Registry Number®

58096-27-8
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CAS Name

(1S,2S,3S,5R)-2,6,6-Trimethylbicyclo[3.1.1]heptane-3-carboxylic acid

Molecular Formula

C11H18O2

Molecular Mass

182.26

Cite this Page

(1S,2S,3S,5R)-2,6,6-Trimethylbicyclo[3.1.1]heptane-3-carboxylic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=58096-27-8 (retrieved 2024-09-03) (CAS RN: 58096-27-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C11H18O2/c1-6-8(10(12)13)4-7-5-9(6)11(7,2)3/h6-9H,4-5H2,1-3H3,(H,12,13)/t6-,7+,8+,9+/m1/s1

InChIKey

InChIKey=YCJJWXPLEWSYFQ-XGEHTFHBSA-N

SMILES

CC1(C)[C@]2(C[C@@]1(C[C@H](C(O)=O)[C@H]2C)[H])[H]

Canonical SMILES

O=C(O)C1CC2CC(C1C)C2(C)C

Other Names for this Substance

  • Bicyclo[3.1.1]heptane-3-carboxylic acid, 2,6,6-trimethyl-, (1S,2S,3S,5R)-
  • Bicyclo[3.1.1]heptane-3-carboxylic acid, 2,6,6-trimethyl-, [1S-(1α,2β,3α,5α)]-
  • (1S,2S,3S,5R)-2,6,6-Trimethylbicyclo[3.1.1]heptane-3-carboxylic acid
  • (+)-3-Pinanecarboxylic acid