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

CAS Registry Number®

25465-65-0
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CAS Name

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

Molecular Formula

C10H18O

Molecular Mass

154.25

Cite this Page

rel-(1R,2R,3S,5S)-2,6,6-Trimethylbicyclo[3.1.1]heptan-3-ol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=25465-65-0 (retrieved 2024-04-27) (CAS RN: 25465-65-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    217 °C

  • Melting Point (1)

    36 °C

  • Density (2)

    0.977 g/cm³ @ Temp: 15 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1/C10H18O/c1-6-8-4-7(5-9(6)11)10(8,2)3/h6-9,11H,4-5H2,1-3H3/t6-,7+,8-,9+/s2

InChIKey

InChIKey=REPVLJRCJUVQFA-BWNVTPFRNA-N

SMILES

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

Canonical SMILES

OC1CC2CC(C1C)C2(C)C

Other Names for this Substance

  • Bicyclo[3.1.1]heptan-3-ol, 2,6,6-trimethyl-, (1R,2R,3S,5S)-rel-
  • Bicyclo[3.1.1]heptan-3-ol, 2,6,6-trimethyl-, (1α,2β,3β,5α)-
  • 3-Pinanol, stereoisomer
  • rel-(1R,2R,3S,5S)-2,6,6-Trimethylbicyclo[3.1.1]heptan-3-ol
  • Neoisopinocampheol

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Deleted or Replaced CAS Registry Numbers

125473-76-9, 15358-90-4

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