Structure Database (LMSD)

Common Name
Tetrahydrosqualene
Systematic Name
Tetrahydrosqualene
Synonyms
LM ID
LMPR0106010004
Status
Active
Exact Mass
Calculate m/z
414.42255
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)
COCRTLOZHDPILP-AAJYLUCBSA-N
InChi (Click to copy)
InChI=1S/C30H54/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h17-18,23-26H,9-16,19-22H2,1-8H3/b27-17+,28-18+,29-23+,30-24+
SMILES (Click to copy)
CC(C)CCC/C(=C/CC/C(/C)=C/CC/C=C(\C)/CC/C=C(\C)/CCCC(C)C)/C

References

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 30
Rings 0
Aromatic Rings 0
Rotatable Bonds 17
Van der Waals Molecular Volume 517.00
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 10.76
Molar Refractivity 140.11

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Created at
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Updated at
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