Structure database (LMSD)

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LM IDLMPR0103500015
Common Name5-(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
Synonyms5-(1-methoxyeth-2-yl)-2,2,7,7-tetramethyltricyclo[6.2.1.0(1,6)]undec-5-ene
Exact Mass
262.2297 (neutral)    Calculate m/z:
FormulaC18H30O
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC15 isoprenoids (sesquiterpenes) [PR0103]
Class Level 4Longifolane sesquiterpenoids [PR010350]
PubChem CID24755533
CHEBI ID48334
InChIKeyMNCVNIHMEDMSII-KSSFIOAISA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=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
SMILESC1C[C@]23C[C@H]1C(C)(C)C2=C(CCOC)CCC3(C)C
MS Spectra-     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms19Rings3Aromatic Rings0Rotatable Bonds3
 van der Waals
Molecular Volume
289.03Topological Polar
Surface Area
9.23Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
1
 logP5.25Molar
Refractivity
80.58