Structure Database (LMSD)

Common Name
5-(1-hydroxybutan-2-yl)isolongifol-4-ene
Systematic Name
Synonyms
  • 2-(2,2,7,7-tetramethyltricyclo[6.2.1.0(1,6)]undec-4-en-5-yl)butan-1-ol
LM ID
LMPR0103500006
Formula
C19H32O
Exact Mass
Calculate m/z
276.245315
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

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)
DJQHGOGCJXFILM-UOQGFUMSSA-N
InChi (Click to copy)
InChI=1S/C19H32O/c1-6-13(12-20)15-8-9-17(2,3)19-10-7-14(11-19)18(4,5)16(15)19/h8,13-14,16,20H,6-7,9-12H2,1-5H3/t13?,14-,16?,19-/m0/s1
SMILES (Click to copy)
C1C[C@]23C[C@H]1C(C)(C)C2C(C(CC)CO)=CCC3(C)C

References

Other Databases

CHEBI ID
48324
PubChem CID
24755576

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 3
Aromatic Rings 0
Rotatable Bonds 3
Van der Waals Molecular Volume 306.33
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 5.09
Molar Refractivity 84.88

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Created at
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Updated at
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