Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMPR0102120006
Common NameSabinene hydrate
Systematic Name-
Synonyms-
Exact Mass
154.1358 (neutral)    Calculate m/z:
FormulaC10H18O
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC10 isoprenoids (monoterpenes) [PR0102]
Class Level 4Bicyclic monoterpenoids [PR010212]
PubChem CID11744854
KEGG IDC02462
CHEBI ID16377
InChIKeyKXSDPILWMGFJMM-OPRDCNLKSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C10H18O/c1-7(2)10-5-4-9(3,11)8(10)6-10/h7-8,11H,4-6H2,1-3H3/t8-,9-,10-/
m1/s1
SMILES[C@]12(C[C@@H]1[C@@](CC2)(O)C)C(C)C
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms11Rings2Aromatic Rings0Rotatable Bonds1
 van der Waals
Molecular Volume
165.63Topological Polar
Surface Area
20.23Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
1
 logP2.48Molar
Refractivity
45.75