Structure Database (LMSD)

Common Name
2-Methylisoborneol
Systematic Name
(2R,4R)-1,2,7,7-tetramethylbicyclo[2.2.1]heptan-2-ol
Synonyms
LM ID
LMPR0102090066
Formula
C11H20O
Exact Mass
Calculate m/z
168.151415
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Level 4 Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C10 isoprenoids (monoterpenes) [PR0102]
Menthane monoterpenoids [PR010209]

String Representations

InChiKey (Click to copy)
LFYXNXGVLGKVCJ-BOBPJJCASA-N
InChi (Click to copy)
InChI=1S/C11H20O/c1-9(2)8-5-6-10(9,3)11(4,12)7-8/h8,12H,5-7H2,1-4H3/t8?,10?,11-/m1/s1
SMILES (Click to copy)
C12(C)CCC(C[C@]1(O)C)C2(C)C

Other Databases

PubChem CID
14029615

Calculated Physicochemical Properties

Heavy Atoms 12
Rings 2
Aromatic Rings 0
Rotatable Bonds 0
Van der Waals Molecular Volume 182.93
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 2.87
Molar Refractivity 50.36

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Created at
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Updated at
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