Structure Database (LMSD)

Common Name
(1R)-bornane-2,5-dione
Systematic Name
(1R,4R)-1,7,7-trimethylbicyclo[2.2.1]heptane-2,5-dione
Synonyms
  • (+)-Bornane-2,5-dione
  • (+)-bornane-2,5-dione
  • 2,5-Diketocamphane
LM ID
LMPR0102120045
Formula
C10H14O2
Exact Mass
Calculate m/z
166.09938
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]
Bicyclic monoterpenoids [PR010212]

String Representations

InChiKey (Click to copy)
UDIUFGIXIGLRSM-WKEGUHRASA-N
InChi (Click to copy)
InChI=1S/C10H14O2/c1-9(2)6-4-8(12)10(9,3)5-7(6)11/h6H,4-5H2,1-3H3/t6-,10-/m0/s1
SMILES (Click to copy)
C1([C@@]2(CC([C@H](C1)C2(C)C)=O)C)=O

Other Databases

KEGG ID
C03037
CHEBI ID
15392
PubChem CID
6971264

Calculated Physicochemical Properties

Heavy Atoms 12
Rings 2
Aromatic Rings 0
Rotatable Bonds 0
Van der Waals Molecular Volume 169.14
Topological Polar Surface Area 34.14
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 1.58
Molar Refractivity 44.63

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Updated at
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