ChemDB: Chemical Search
Download
Chemical ID: 5041109
Chemical ID:
5041109
Name [?]:
cyclohexane-1,2,3,4,5,6-hexol
SMILES [?]:
C1(C(C(C(C(C1O)O)O)O)O)O
InChi [?]:
InChI=1/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,4,12,11,7,10,8,9/E:(1,2,3,4,5,6)(7,8,9,10,11,12)/rA:12nCCCCCCOOOOOO/rB:s1;s2;s3;s4;s1s5;s6;s5;s4;s3;s2;s1;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C6H12O6 |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 1.60549 |
Area: | 310.03 |
Solvation: | -6.14526 |
Coulombic: | -100.023 |
Bond Count [?]
All: | 12 |
Single: | 12 |
Double: | 0 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 180.156 |
H-Bond Donors: | 6 |
H-Bond Acceptors: | 6 |
XLogP: | -2.75 |
LogP (Chemaxon): | -2.24 |
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 |
---|