Structure Database (LMSD)

O O H H
Common Name
dolichodial
Systematic Name
(1R,2S,5S)-2-(1-formylethenyl)-5-methylcyclopentanecarbaldehyde
Synonyms
  • (1R,2S,5S)-2-(1-formylvinyl)-5-methylcyclopentanecarbaldehyde
  • Dolichodial
LM ID
LMPR0102070037
Formula
C10H14O2
Exact Mass
Calculate m/z
166.09938
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Level 4 Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C10 isoprenoids (monoterpenes) [PR0102]
Iridoid, 10-alkyliridoid and secoiridoid monoterpenoids [PR010207]

String Representations

InChiKey (Click to copy)
BORBLDJNKYHVJP-FXBDTBDDSA-N
InChi (Click to copy)
InChI=1S/C10H14O2/c1-7-3-4-9(8(2)5-11)10(7)6-12/h5-7,9-10H,2-4H2,1H3/t7-,9+,10+/m0/s1
SMILES (Click to copy)
C1[C@]([C@]([H])(C=O)[C@@H](C)C1)([H])C(=C)C=O

References

Other Databases

KEGG ID
C09777
CHEBI ID
4685
PubChem CID
442422

Calculated Physicochemical Properties

Heavy Atoms 12
Rings 1
Aromatic Rings 0
Rotatable Bonds 3
Van der Waals Molecular Volume 178.86
Topological Polar Surface Area 34.14
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 1.60
Molar Refractivity 46.65

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Created at
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Updated at
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