Structure Database (LMSD)
Common Name
1,2-Dihydrophytofluene
Systematic Name
1,2,7,8,11,12,7',8'-Octahydro-psi,psi-carotene
Synonyms
3D model of 1,2-Dihydrophytofluene
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
References
String Representations
InChiKey (Click to copy)
ZCUUKNCNGWTGFD-OUOOUFEBSA-N
InChi (Click to copy)
InChI=1S/C40H64/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,15,19,21-22,25,27-30,34H,13-14,16-18,20,23-24,26,31-32H2,1-10H3/b12-11+,25-15+,35-21+,36-22+,37-27+,38-28+,39-29+,40-30+
SMILES (Click to copy)
C(=C(/C)\CCCC(C)C)/CC/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
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
40
Rings
Aromatic Rings
Rotatable Bonds
20
Van der Waals Molecular Volume
676.80
Topological Polar Surface Area
0.00
Hydrogen Bond Donors
Hydrogen Bond Acceptors
logP
13.69
Molar Refractivity
185.88
Admin
Created at
17th Nov 2021
Updated at
22nd Nov 2021