Structure Database (LMSD)

Common Name
5-(2-hydroxyethyl)isolongifol-5-ene
Systematic Name
2-[(1R,8S)-2,2,7,7-tetramethyltricyclo[6.2.1.0(1,6)]undec-5-en-5-yl]ethanol
Synonyms
  • 2-(2,2,7,7-tetramethyltricyclo[6.2.1.0(1,6)]undec-5-en-5-yl)ethanol
LM ID
LMPR0103500008
Formula
C17H28O
Exact Mass
Calculate m/z
248.214015
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Level 4 Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C15 isoprenoids (sesquiterpenes) [PR0103]
Longifolane sesquiterpenoids [PR010350]

String Representations

InChiKey (Click to copy)
NFXJQOBAEPGJFX-GUYCJALGSA-N
InChi (Click to copy)
InChI=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
SMILES (Click to copy)
C1C[C@]23C[C@H]1C(C)(C)C2=C(CCO)CCC3(C)C

Other Databases

CHEBI ID
48326
PubChem CID
24755574

Calculated Physicochemical Properties

Heavy Atoms 18
Rings 3
Aromatic Rings 0
Rotatable Bonds 2
Van der Waals Molecular Volume 271.73
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 4.60
Molar Refractivity 75.79

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Created at
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Updated at
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