ChemDB: Chemical Search
Download
Chemical ID: 4948731
Chemical ID:
4948731
Name [?]:
5-tert-butylnonan-5-ol
SMILES [?]:
CCCCC(CCCC)(C(C)(C)C)O
InChi [?]:
InChI=1/C13H28O/c1-6-8-10-13(14,11-9-7-2)12(3,4)5/h14H,6-11H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,9,11,12,13,2,8,3,7,4,6,10,5,14/E:(1,2)(3,4,5)(6,7)(8,9)(10,11)/rA:14nCCCCCCCCCCCCCO/rB:s1;s2;s3;s4;s5;s6;s7;s8;s5;s10;s10;s10;s5;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H28O |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.96842 |
Area: | 403.383 |
Solvation: | -1.11614 |
Coulombic: | -19.9545 |
Bond Count [?]
All: | 13 |
Single: | 13 |
Double: | 0 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 200.361 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 4.84 |
LogP (Chemaxon): | 4.47 |
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 |
---|