Structure Database (LMSD)
Common Name
4,5-(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
Synonyms
- 2,2,11,11-tetramethyl-6-oxatetracyclo[10.2.1.0(1,10).0(4,9)]pentadec-4(9)-ene
3D model of 4,5-(methanoxyethano)isolongifol-4-ene
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
Level 4 Class
String Representations
InChiKey (Click to copy)
OPHJYEFTOHTQHT-LWSHRDBSSA-N
InChi (Click to copy)
InChI=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/h13,15H,5-11H2,1-4H3/t13-,15?,18-/m0/s1
SMILES (Click to copy)
C1C[C@]23C[C@H]1C(C)(C)C2C1CCOCC=1CC3(C)C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
19
Rings
4
Aromatic Rings
0
Rotatable Bonds
0
Van der Waals Molecular Volume
276.67
Topological Polar Surface Area
11.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
1
logP
5.15
Molar Refractivity
78.89
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Created at
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Updated at
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