Structure Database (LMSD)

Common Name
(Z)-5-(heptadec-8-en-1-yl)resorcinol
Systematic Name
(Z)-5-(heptadec-8-en-1-yl)benzene-1,3-diol
Synonyms
LM ID
LMPK15030024
Status
Active
Exact Mass
Calculate m/z
346.28718
Formula


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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)
DQSWQRFGZIJUCI-KTKRTIGZSA-N
InChi (Click to copy)
1S/C23H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-18-22(24)20-23(25)19-21/h9-10,18-20,24-25H,2-8,11-17H2,1H3/b10-9-
SMILES (Click to copy)
C1(O)C=C(CCCCCCC/C=C\CCCCCCCC)C=C(O)C=1

References

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 1
Aromatic Rings 1
Rotatable Bonds 15
Van der Waals Molecular Volume 390.22
Topological Polar Surface Area 40.46
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 2
logP 7.29
Molar Refractivity 108.31

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Created at
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Updated at
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