ChemDB: Chemical Search
Download
Chemical ID: 5286022
Chemical ID:
5286022
Name [?]:
3,7-dimethyloctane-1,7-diol
SMILES [?]:
CC(CCCC(C)(C)O)CCO
InChi [?]:
InChI=1/C10H22O2/c1-9(6-8-11)5-4-7-10(2,3)12/h9,11-12H,4-8H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,7,8,4,3,10,5,11,2,6,12,9/E:(2,3)/rA:12cCCCCCCCCOCCO/rB:s1;s2;s3;s4;s5;s6;s6;s6;s2;s10;s11;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H22O2 |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.85949 |
Area: | 380.197 |
Solvation: | -2.64543 |
Coulombic: | -34.5033 |
Bond Count [?]
All: | 11 |
Single: | 11 |
Double: | 0 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 174.28 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 2.18 |
LogP (Chemaxon): | 1.81 |
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 |
---|