Structure database (LMSD)

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LM IDLMPR0103090009
Common Namegermacradienol
Systematic Name2-[(1R,2E,4S,7E)-4,8-dimethylcyclodeca-2,7-dien-1-yl]propan-2-ol
Synonyms-
Exact Mass
222.1984 (neutral)    Calculate m/z:
FormulaC15H26O
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC15 isoprenoids (sesquiterpenes) [PR0103]
Class Level 4Germacrane sesquiterpenoids [PR010309]
PubChem CID16667385
CHEBI ID46734
InChIKeyZVZPKUXZGROCDB-IFRRKGDKSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C15H26O/c1-12-6-5-7-13(2)9-11-14(10-8-12)15(3,4)16/h6,9,11,13-14,16H,5,
7-8,10H2,1-4H3/b11-9+,12-6+/t13-,14+/m0/s1
SMILESC1=C[C@@H](C)CCC=C(C)CC[C@H]1C(O)(C)C
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms16Rings1Aromatic Rings0Rotatable Bonds1
 van der Waals
Molecular Volume
259.21Topological Polar
Surface Area
20.23Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
1
 logP4.37Molar
Refractivity
70.83