Structure Database (LMSD)

Common Name
C30:5 Monocyclic highly branched isoprenoid A
Systematic Name
1-methyl-4-(prop-1-en-2-yl)-3-(3,7,11,15-tetramethyl-hexadeca-1,10E,14-trien-7-yl)-cyclohex-1-ene
Synonyms
LM ID
LMPR0106020001
Status
Active
Exact Mass
Calculate m/z
410.39125
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)
ZJVXDMICLAHVAH-YZSQISJMSA-N
InChi (Click to copy)
InChI=1S/C30H50/c1-10-25(6)16-12-20-30(9,21-13-17-26(7)15-11-14-23(2)3)29-22-27(8)18-19-28(29)24(4)5/h10,14,17,22,25,28-29H,1,4,11-13,15-16,18-21H2,2-3,5-9H3/b26-17+
SMILES (Click to copy)
C(/C)(\C)=C/CC/C(/C)=C/CCC(CCCC(C)C=C)(C1C(C(C)=C)CCC(C)=C1)C

References

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 30
Rings 1
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 502.00
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 10.01
Molar Refractivity 137.76

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Created at
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Updated at
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