Structure Database (LMSD)
Common Name
5-(1-oxopropan-2-yl)isolongifol-5-ene
Systematic Name
2-[(1S,8S)-2,2,7,7-tetramethyltricyclo[6.2.1.0(1,6)]undec-5-en-5-yl]propanal
Synonyms
- 2-(2,2,7,7-tetramethyltricyclo[6.2.1.0(1,6)]undec-5-en-5-yl)propanal
3D model of 5-(1-oxopropan-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)
UZEYTOTWRRZDNB-UAGUUWOPSA-N
InChi (Click to copy)
InChI=1S/C18H28O/c1-12(11-19)14-7-8-16(2,3)18-9-6-13(10-18)17(4,5)15(14)18/h11-13H,6-10H2,1-5H3/t12?,13-,18-/m0/s1
SMILES (Click to copy)
C1C[C@]23C[C@H]1C(C)(C)C2=C(C(C)C=O)CCC3(C)C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
19
Rings
3
Aromatic Rings
0
Rotatable Bonds
2
Van der Waals Molecular Volume
286.39
Topological Polar Surface Area
17.07
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
1
logP
4.76
Molar Refractivity
78.82
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Created at
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Updated at
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