Structure Database (LMSD)

Common Name
(-)-cis-chrysanthemic acid
Systematic Name
(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylic acid
Synonyms
  • (-)-cis-Chrysanthemumsaeure
  • (-)-cis-chrysanthemic acid
  • (1S,3R)-2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylic acid
  • (1S-cis)-2,2-Dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylic acid
  • (1S-cis)-2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylic acid
LM ID
LMPR0102060003
Formula
C10H16O2
Exact Mass
Calculate m/z
168.11503
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]
Cyclopropane and cyclobutane monoterpenoids [PR010206]

String Representations

InChiKey (Click to copy)
XLOPRKKSAJMMEW-HTQZYQBOSA-N
InChi (Click to copy)
InChI=1S/C10H16O2/c1-6(2)5-7-8(9(11)12)10(7,3)4/h5,7-8H,1-4H3,(H,11,12)/t7-,8-/m1/s1
SMILES (Click to copy)
C/C(/C)=C\[C@H]1C(C)(C)[C@H]1C(O)=O

Other Databases

CHEBI ID
39105
PubChem CID
20755

Calculated Physicochemical Properties

Heavy Atoms 12
Rings 1
Aromatic Rings 0
Rotatable Bonds 2
Van der Waals Molecular Volume 181.50
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 2.31
Molar Refractivity 47.83

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Updated at
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