Structure Database (LMSD)

Common Name
(+)-12-Isocopalene-15,16-dial
Systematic Name
Synonyms
LM ID
LMPR0104110001
Status
Active
Exact Mass
Calculate m/z
302.22458
Formula


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
NPOWRDFGFIYMIY-FNBBUQMSSA-N
InChi (Click to copy)
InChI=1S/C20H30O2/c1-18(2)9-5-10-20(4)16(18)8-11-19(3)15(13-22)14(12-21)6-7-17(19)20/h6,12-13,15-17H,5,7-11H2,1-4H3/t15?,16-,17?,19-,20-/m0/s1
SMILES (Click to copy)
C1CC[C@]2(C)C3CC=C(C=O)C(C=O)[C@]3(C)CC[C@@]2([H])C1(C)C

References

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 3
Aromatic Rings 0
Rotatable Bonds 2
Van der Waals Molecular Volume 327.14
Topological Polar Surface Area 34.14
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 4.58
Molar Refractivity 88.38

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Created at
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Updated at
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