Structure database (LMSD)

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LM IDLMPR0103500012
Common Name4,5-(methanoxyethano)isolongifol-4-ene
Systematic Name(1S,12S)-2,2,11,11-tetramethyl-6-oxatetracyclo[10.2.1.0(1,10).0(4,9)]pentadec-
4(9)-ene
Synonyms2,2,11,11-tetramethyl-6-oxatetracyclo[10.2.1.0(1,10).0(4,9)]pentadec-4(9)-ene
Exact Mass
260.2140 (neutral)    Calculate m/z:
FormulaC18H28O
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC15 isoprenoids (sesquiterpenes) [PR0103]
Class Level 4Longifolane sesquiterpenoids [PR010350]
PubChem CID24755570
CHEBI ID48330
InChIKeyOPHJYEFTOHTQHT-LWSHRDBSSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C18H28O/c1-16(2)9-12-11-19-8-6-14(12)15-17(3,4)13-5-7-18(15,16)10-13/h1
3,15H,5-11H2,1-4H3/t13-,15?,18-/m0/s1
SMILESC1C[C@]23C[C@H]1C(C)(C)C2C1CCOCC=1CC3(C)C
MS Spectra-     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms19Rings4Aromatic Rings0Rotatable Bonds0
 van der Waals
Molecular Volume
276.67Topological Polar
Surface Area
11.30Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
1
 logP5.15Molar
Refractivity
78.89