Structure Database (LMSD)
Common Name
5-(3-hydroxybutan-2-yl)isolongifol-5-ene
Systematic Name
3-[(1R,8S)-2,2,7,7-tetramethyltricyclo[6.2.1.0(1,6)]undec-5-en-5-yl]butan-2-ol
Synonyms
- 3-(2,2,7,7-tetramethyltricyclo[6.2.1.0(1,6)]undec-5-en-5-yl)butan-2-ol
3D model of 5-(3-hydroxybutan-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)
FUGCDICKIUVODR-LQEHGROVSA-N
InChi (Click to copy)
InChI=1S/C19H32O/c1-12(13(2)20)15-8-9-17(3,4)19-10-7-14(11-19)18(5,6)16(15)19/h12-14,20H,7-11H2,1-6H3/t12?,13?,14-,19-/m0/s1
SMILES (Click to copy)
C1C[C@]23C[C@H]1C(C)(C)C2=C(C(C)C(O)C)CCC3(C)C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
20
Rings
3
Aromatic Rings
0
Rotatable Bonds
2
Van der Waals Molecular Volume
306.33
Topological Polar Surface Area
20.23
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
1
logP
5.23
Molar Refractivity
84.95
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Updated at
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