Structure Database (LMSD)

Common Name
6-endo-hydroxycineole
Systematic Name
(1R,4S,6S)-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-ol
Synonyms
  • 6-endo-Hydroxycineole
  • 6-endo-hydroxycineole
LM ID
LMPR0102090065
Formula
C10H18O2
Exact Mass
Calculate m/z
170.13068
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Level 4 Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C10 isoprenoids (monoterpenes) [PR0102]
Menthane monoterpenoids [PR010209]

String Representations

InChiKey (Click to copy)
YVCUGZBVCHODNB-OYNCUSHFSA-N
InChi (Click to copy)
InChI=1S/C10H18O2/c1-9(2)7-4-5-10(3,12-9)8(11)6-7/h7-8,11H,4-6H2,1-3H3/t7-,8-,10+/m0/s1
SMILES (Click to copy)
C1[C@H](O)[C@@]2(C)CC[C@@H]1C(C)(C)O2

Other Databases

KEGG ID
C03092
HMDB ID
HMDB0059610
CHEBI ID
16271
PubChem CID
6857383

Calculated Physicochemical Properties

Heavy Atoms 12
Rings 3
Aromatic Rings 0
Rotatable Bonds 0
Van der Waals Molecular Volume 170.62
Topological Polar Surface Area 31.53
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 2.57
Molar Refractivity 48.45

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Updated at
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