Structure Database (LMSD)
Common Name
Sabinene hydrate
Systematic Name
Synonyms
3D model of Sabinene hydrate
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
Level 4 Class
String Representations
InChiKey (Click to copy)
KXSDPILWMGFJMM-OPRDCNLKSA-N
InChi (Click to copy)
InChI=1S/C10H18O/c1-7(2)10-5-4-9(3,11)8(10)6-10/h7-8,11H,4-6H2,1-3H3/t8-,9-,10-/m1/s1
SMILES (Click to copy)
[C@]12(C[C@@H]1[C@@](CC2)(O)C)C(C)C
References
Calculated Physicochemical Properties
Heavy Atoms
11
Rings
2
Aromatic Rings
0
Rotatable Bonds
1
Van der Waals Molecular Volume
165.63
Topological Polar Surface Area
20.23
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
1
logP
2.48
Molar Refractivity
45.75
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Created at
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Updated at
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