Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMPR0102070000
Common NameIridoid skeleton
Systematic Name-
Synonyms-
Exact Mass-
Formula-
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC10 isoprenoids (monoterpenes) [PR0102]
Class Level 4Iridoid, 10-alkyliridoid and secoiridoid monoterpenoids [PR010207]
PubChem CID-
InChIKeyBSOMMQKXQBBLDD-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C10H18O/c1-7-3-4-9-8(2)5-11-6-10(7)9/h7-10H,3-6H2,1-2H3
Click to highlight InChI
SMILES
C12CCC(C)C1COCC2C
Click to highlight SMILES
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms11Rings2Aromatic Rings0Rotatable Bonds0
 van der Waals
Molecular Volume
165.63Topological Polar
Surface Area
11.30Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
1
 logP2.88Molar
Refractivity
46.34