ChemDB: Chemical Search
Download
Chemical ID: 6680824
Chemical ID:
6680824
Name [?]:
1,2,3,4,5,6-hexamethylbicyclo[2.2.0]hexa-2,5-diene
SMILES [?]:
CC1=C(C2(C1(C(=C2C)C)C)C)C
InChi [?]:
InChI=1/C12H18/c1-7-8(2)12(6)10(4)9(3)11(7,12)5/h1-6H3
InChi Info:
AuxInfo=1/0/N:1,12,9,8,10,11,2,3,6,7,5,4/E:(1,2,3,4)(5,6)(7,8,9,10)(11,12)/rA:12nCCCCCCCCCCCC/rB:s1;d2;s3;s2s4;s5;s4d6;s7;s6;s5;s4;s3;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H18 |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.3022 |
Area: | 343.33 |
Solvation: | -0.281055 |
Coulombic: | -2.30689 |
Bond Count [?]
All: | 13 |
Single: | 11 |
Double: | 2 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 162.271 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 2.96 |
LogP (Chemaxon): | 2.7 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|