Structure Database (LMSD)
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
3D model of 5-(1-methoxybutan-2-yl)isolongifol-5-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)
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
Other Databases
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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