Structure Database (LMSD)

O
Common Name
5-(1-methoxybutan-2-yl)isolongifol-5-ene
Systematic Name
Synonyms
  • 5-(1-methoxybut-2-yl)-2,2,7,7-tetramethyltricyclo[6.2.1.0(1,6)]undec-5-ene
LM ID
LMPR0103500014
Formula
C20H34O
Exact Mass
Calculate m/z
290.260965
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)
VLTVWKKPNYFSMO-NEYBVYDXSA-N
InChi (Click to copy)
InChI=1S/C20H34O/c1-7-14(13-21-6)16-9-10-18(2,3)20-11-8-15(12-20)19(4,5)17(16)20/h14-15H,7-13H2,1-6H3/t14?,15-,20-/m0/s1
SMILES (Click to copy)
C1C[C@]23C[C@H]1C(C)(C)C2=C(C(CC)COC)CCC3(C)C

References

Other Databases

CHEBI ID
48332
PubChem CID
24755567

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 3
Aromatic Rings 0
Rotatable Bonds 4
Van der Waals Molecular Volume 323.63
Topological Polar Surface Area 9.23
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 5.89
Molar Refractivity 89.74

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Created at
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Updated at
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