Structure database (LMSD)

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LM IDLMPR0103460002
Common Name6-Valerene-11-ol
Systematic Name-
Synonyms-
Exact Mass
222.1984 (neutral)    Calculate m/z:
FormulaC15H26O
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC15 isoprenoids (sesquiterpenes) [PR0103]
Class Level 4Valerenane sesquiterpenoids [PR010346]
PubChem CID42608163
InChIKeyIYMKPZYUEJPWPC-ULKFAFIRSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C15H26O/c1-10-5-7-12(9-15(3,4)16)14-11(2)6-8-13(10)14/h9-11,13-14,16H,5-8H2,1-4H3/b12-9+/t10-,11-,13+,14-/m0/s1
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SMILES
[C@@]12([H])[C@@H](C)CC[C@]1([H])[C@@H](C)CC/C/2=C\C(O)(C)C
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms16Rings2Aromatic Rings0Rotatable Bonds1
 van der Waals
Molecular Volume
249.49Topological Polar
Surface Area
20.23Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
1
 logP4.06Molar
Refractivity
68.67