ChemDB: Chemical Search
Download
Chemical ID: 4956607
Chemical ID:
4956607
Name [?]:
[2-(carbamoyloxymethyl)-2-ethyl-butyl] aminoformate
SMILES [?]:
CCC(CC)(COC(=O)N)COC(=O)N
InChi [?]:
InChI=1/C9H18N2O4/c1-3-9(4-2,5-14-7(10)12)6-15-8(11)13/h3-6H2,1-2H3,(H2,10,12)(H2,11,13)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,6,11,8,13,3,10,15,9,14,7,12/E:(1,2)(3,4)(5,6)(7,8)(10,11)(12,13)(14,15)/gE:(1,2)/rA:15nCCCCCCOCONCOCON/rB:s1;s2;s3;s4;s3;s6;s7;d8;s8;s3;s11;s12;d13;s13;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H18N2O4 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.84654 |
Area: | 411.985 |
Solvation: | -2.45308 |
Coulombic: | -75.3094 |
Bond Count [?]
All: | 14 |
Single: | 12 |
Double: | 2 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 218.25 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 6 |
XLogP: | 0.7 |
LogP (Chemaxon): | 0.96 |
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 |
---|