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Chemical ID: 6514186
Chemical ID:
6514186
Name [?]:
tert-butyl [1-(hydroxymethyl)-3-methyl-butyl]aminoformate
SMILES [?]:
CC(C)CC(CO)NC(=O)OC(C)(C)C
InChi [?]:
InChI=1/C11H23NO3/c1-8(2)6-9(7-13)12-10(14)15-11(3,4)5/h8-9,13H,6-7H2,1-5H3,(H,12,14)
InChi Info:
AuxInfo=1/1/N:1,3,13,14,15,4,6,2,5,9,12,8,7,10,11/E:(1,2)(3,4,5)/rA:15cCCCCCCONCOOCCCC/rB:s1;s2;s2;s4;s5;s6;s5;s8;d9;s9;s11;s12;s12;s12;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H23NO3 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.23846 |
Area: | 420.746 |
Solvation: | -2.28021 |
Coulombic: | -51.3766 |
Bond Count [?]
All: | 14 |
Single: | 13 |
Double: | 1 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 217.305 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 2.37 |
LogP (Chemaxon): | 1.84 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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