ChemDB: Chemical Search
Download
Chemical ID: 6915261
Chemical ID:
6915261
Name [?]:
(1-hydroxy-3,7,11-trimethyl-dodecyl)phosphonic acid
SMILES [?]:
CC(C)CCCC(C)CCCC(C)CC(O)P(=O)(O)O
InChi [?]:
InChI=1/C15H33O4P/c1-12(2)7-5-8-13(3)9-6-10-14(4)11-15(16)20(17,18)19/h12-16H,5-11H2,1-4H3,(H2,17,18,19)
InChi Info:
AuxInfo=1/1/N:1,3,8,13,5,10,4,6,9,11,14,2,7,12,15,16,18,19,20,17/E:(1,2)(17,18,19)/rA:20cCCCCCCCCCCCCCCCOPOOO/rB:s1;s2;s2;s4;s5;s6;s7;s7;s9;s10;s11;s12;s12;s14;s15;s15;d17;s17;s17;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H33O4P |
All Atoms: | 53 |
Heavy Atoms: | 20 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 10.6684 |
Area: | 569.522 |
Solvation: | -3.56966 |
Coulombic: | -61.5069 |
Bond Count [?]
All: | 19 |
Single: | 18 |
Double: | 1 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 308.394 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 4 |
XLogP: | 3.81 |
LogP (Chemaxon): | 3.82 |
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 |
---|