Structure Database (LMSD)

Common Name
5-(2-methoxyethyl)isolongifol-5-ene
Systematic Name
(1R,8S)-5-(2-methoxyethyl)-2,2,7,7-tetramethyltricyclo[6.2.1.0(1,6)]undec-5-ene
Synonyms
  • 5-(1-methoxyeth-2-yl)-2,2,7,7-tetramethyltricyclo[6.2.1.0(1,6)]undec-5-ene
LM ID
LMPR0103500015
Formula
C18H30O
Exact Mass
Calculate m/z
262.229665
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)
MNCVNIHMEDMSII-KSSFIOAISA-N
InChi (Click to copy)
InChI=1S/C18H30O/c1-16(2)9-6-13(8-11-19-5)15-17(3,4)14-7-10-18(15,16)12-14/h14H,6-12H2,1-5H3/t14-,18-/m0/s1
SMILES (Click to copy)
C1C[C@]23C[C@H]1C(C)(C)C2=C(CCOC)CCC3(C)C

Other Databases

CHEBI ID
48334
PubChem CID
24755533

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 3
Aromatic Rings 0
Rotatable Bonds 3
Van der Waals Molecular Volume 289.03
Topological Polar Surface Area 9.23
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 5.25
Molar Refractivity 80.58

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Created at
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Updated at
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