ChemDB: Chemical Search
Download
Chemical ID: 6047940
Chemical ID:
6047940
Name [?]:
tetradecane-1,14-diol
SMILES [?]:
C(CCCCCCCO)CCCCCCO
InChi [?]:
InChI=1/C14H30O2/c15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16/h15-16H,1-14H2
InChi Info:
AuxInfo=1/0/N:1,2,10,3,11,4,12,5,13,6,14,7,15,8,16,9/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)/rA:16nCCCCCCCCOCCCCCCO/rB:s1;s2;s3;s4;s5;s6;s7;s8;s1;s10;s11;s12;s13;s14;s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H30O2 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.1211 |
Area: | 518.824 |
Solvation: | -2.84953 |
Coulombic: | -36.1305 |
Bond Count [?]
All: | 15 |
Single: | 15 |
Double: | 0 |
Rotors: | 13 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 230.387 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 4.78 |
LogP (Chemaxon): | 3.76 |
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 |
---|