Structure Database (LMSD)

Common Name
C25 6,7-Epoxy highly branched isoprenoid
Systematic Name
2,6,10,14-tetramethyl-6,7-epoxy-9-(3-methyl-pentyl)-pentadecane
Synonyms
LM ID
LMPR0105010003
Status
Active
Exact Mass
Calculate m/z
366.386165
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)
CKTDKWGLYNYMOS-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C25H50O/c1-9-21(6)15-16-23(22(7)14-10-12-19(2)3)18-24-25(8,26-24)17-11-13-20(4)5/h19-24H,9-18H2,1-8H3
SMILES (Click to copy)
CC(CCCC(C)C(CCC(C)CC)CC1OC1(CCCC(C)C)C)C

References

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 1
Aromatic Rings 0
Rotatable Bonds 15
Van der Waals Molecular Volume 437.49
Topological Polar Surface Area 12.53
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 8.84
Molar Refractivity 117.64

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Created at
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Updated at
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