Structure Database (LMSD)

Common Name
Botryococcane
Systematic Name
10-ethyl-2,6,10,13,17,21-hexamethyl-docosane
Synonyms
LM ID
LMPR0106030001
Status
Active
Exact Mass
Calculate m/z
422.48515
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)
BMQOPLQIXUYINH-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C30H62/c1-10-30(9,23-14-21-28(7)18-12-16-26(4)5)24-22-29(8)20-13-19-27(6)17-11-15-25(2)3/h25-29H,10-24H2,1-9H3
SMILES (Click to copy)
CC(C)CCCC(CCCC(C)(CC)CCC(CCCC(C)CCCC(C)C)C)C

References

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 30
Rings 0
Aromatic Rings 0
Rotatable Bonds 20
Van der Waals Molecular Volume 527.56
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 11.08
Molar Refractivity 140.20

Admin

Created at
-
Updated at
-