(1S,2R,5R)-2,6,6-Trimethylbicyclo[3.1.1]heptan-3-one

CAS Registry Number®

22339-21-5

CAS Name

(1S,2R,5R)-2,6,6-Trimethylbicyclo[3.1.1]heptan-3-one

Molecular Formula

C10H16O

Molecular Mass

152.23

Cite this Page

(1S,2R,5R)-2,6,6-Trimethylbicyclo[3.1.1]heptan-3-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=22339-21-5 (retrieved 2025-01-07) (CAS RN: 22339-21-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    211 °C

  • Melting Point (1)

    -20 °C

  • Density (2)

    0.9651 g/cm³ @ Temp: 20 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C10H16O/c1-6-8-4-7(5-9(6)11)10(8,2)3/h6-8H,4-5H2,1-3H3/t6-,7-,8+/m1/s1

InChIKey

InChIKey=MQPHVIPKLRXGDJ-PRJMDXOYSA-N

SMILES

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

Canonical SMILES

O=C1CC2CC(C1C)C2(C)C

Other Names for this Substance

  • Bicyclo[3.1.1]heptan-3-one, 2,6,6-trimethyl-, (1S,2R,5R)-
  • 3-Pinanone, (1S,2R,5R)-(-)-
  • Bicyclo[3.1.1]heptan-3-one, 2,6,6-trimethyl-, [1S-(1α,2α,5α)]-
  • (1S,2R,5R)-2,6,6-Trimethylbicyclo[3.1.1]heptan-3-one
  • (-)-10α-Pinan-3-one

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Deleted or Replaced CAS Registry Numbers

1195518-93-4, 2933341-44-5

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