Structure Database (LMSD)

Common Name
Axerophthene
Systematic Name
Synonyms
LM ID
LMPR0104020002
Status
Active
Exact Mass
Calculate m/z
270.23475
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)
IDMGVRDNZFQORW-JWBAUCAFSA-N
InChi (Click to copy)
InChI=1S/C20H30/c1-7-16(2)10-8-11-17(3)13-14-19-18(4)12-9-15-20(19,5)6/h7-8,10-11,13-14H,9,12,15H2,1-6H3/b10-8+,14-13+,16-7+,17-11+
SMILES (Click to copy)
C1C(C)(C)C(/C=C/C(/C)=C/C=C/C(/C)=C/C)=C(C)CC1

References

Other Databases

CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 1
Aromatic Rings 0
Rotatable Bonds 4
Van der Waals Molecular Volume 329.00
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 6.54
Molar Refractivity 91.80

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Created at
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Updated at
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