Structure database (LMSD)

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LM IDLMPR0103500008
Common Name5-(2-hydroxyethyl)isolongifol-5-ene
Systematic Name2-[(1R,8S)-2,2,7,7-tetramethyltricyclo[6.2.1.0(1,6)]undec-5-en-5-yl]ethanol
Synonyms2-(2,2,7,7-tetramethyltricyclo[6.2.1.0(1,6)]undec-5-en-5-yl)ethanol
Exact Mass
248.2140 (neutral)    Calculate m/z:
FormulaC17H28O
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC15 isoprenoids (sesquiterpenes) [PR0103]
Class Level 4Longifolane sesquiterpenoids [PR010350]
PubChem CID24755574
CHEBI ID48326
InChIKeyNFXJQOBAEPGJFX-GUYCJALGSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C17H28O/c1-15(2)8-5-12(7-10-18)14-16(3,4)13-6-9-17(14,15)11-13/h13,18H,
5-11H2,1-4H3/t13-,17-/m0/s1
SMILESC1C[C@]23C[C@H]1C(C)(C)C2=C(CCO)CCC3(C)C
MS Spectra-     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms18Rings3Aromatic Rings0Rotatable Bonds2
 van der Waals
Molecular Volume
271.73Topological Polar
Surface Area
20.23Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
1
 logP4.60Molar
Refractivity
75.79