ChemDB: Chemical Search
Download
Chemical ID: 5093918
Chemical ID:
5093918
Name [?]:
2-(1-methylheptyl)phenol
SMILES [?]:
CCCCCCC(C)c1ccccc1O
InChi [?]:
InChI=1/C14H22O/c1-3-4-5-6-9-12(2)13-10-7-8-11-14(13)15/h7-8,10-12,15H,3-6,9H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,8,2,3,4,5,11,12,6,10,13,7,9,14,15/rA:15cCCCCCCCCCCCCCCO/rB:s1;s2;s3;s4;s5;s6;s7;s7;s9;d10;s11;d12;d9s13;s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H22O |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.37654 |
Area: | 428.85 |
Solvation: | -1.34471 |
Coulombic: | -19.7358 |
Bond Count [?]
All: | 15 |
Single: | 12 |
Double: | 3 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 206.324 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 5.65 |
LogP (Chemaxon): | 4.94 |
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 |
---|