Structure database (LMSD)

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LM IDLMPR0103500009
Common Name5-(3-hydroxybutan-2-yl)isolongifol-5-ene
Systematic Name3-[(1R,8S)-2,2,7,7-tetramethyltricyclo[6.2.1.0(1,6)]undec-5-en-5-yl]butan-2-ol
Synonyms3-(2,2,7,7-tetramethyltricyclo[6.2.1.0(1,6)]undec-5-en-5-yl)butan-2-ol
Exact Mass
276.2453 (neutral)    Calculate m/z:
FormulaC19H32O
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC15 isoprenoids (sesquiterpenes) [PR0103]
Class Level 4Longifolane sesquiterpenoids [PR010350]
PubChem CID24755573
CHEBI ID48327
InChIKeyFUGCDICKIUVODR-LQEHGROVSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C19H32O/c1-12(13(2)20)15-8-9-17(3,4)19-10-7-14(11-19)18(5,6)16(15)19/h1
2-14,20H,7-11H2,1-6H3/t12?,13?,14-,19-/m0/s1
SMILESC1C[C@]23C[C@H]1C(C)(C)C2=C(C(C)C(O)C)CCC3(C)C
MS Spectra-     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms20Rings3Aromatic Rings0Rotatable Bonds2
 van der Waals
Molecular Volume
306.33Topological Polar
Surface Area
20.23Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
1
 logP5.23Molar
Refractivity
84.95