Structure Database (LMSD)
Common Name
4,4'-Diapophytofluene
Systematic Name
Synonyms
3D model of 4,4'-Diapophytofluene
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
XJMTWNXFNQAKGS-AXODYVGMSA-N
InChi (Click to copy)
InChI=1S/C30H46/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/h9-10,13,15-18,21,23-24H,11-12,14,19-20,22H2,1-8H3/b10-9+,21-13+,27-17+,28-18+,29-23+,30-24+
SMILES (Click to copy)
C/C(/C)=C/CC/C(/C)=C/C=C/C(/C)=C/C=C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/C
References
Calculated Physicochemical Properties
Heavy Atoms
30
Rings
0
Aromatic Rings
0
Rotatable Bonds
13
Van der Waals Molecular Volume
506.44
Topological Polar Surface Area
0.00
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
0
logP
10.16
Molar Refractivity
139.87
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Created at
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Updated at
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