Chemical ID: 4701114

CC(C)CC(=O)NC=C1C(=O)OC(OC1=O)(C)C
Chemical ID:
4701114
Name [?]:
N-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]-3-methyl-butanamide
SMILES [?]:
CC(C)CC(=O)NC=C1C(=O)OC(OC1=O)(C)C
InChi [?]:
InChI=1/C12H17NO5/c1-7(2)5-9(14)13-6-8-10(15)17-12(3,4)18-11(8)16/h6-7H,5H2,1-4H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,3,17,18,4,8,2,9,5,10,15,13,7,6,11,16,12,14/E:(1,2)(3,4)(10,11)(15,16)(17,18)/rA:18nCCCCCONCCCOOCOCOCC/rB:s1;s2;s2;s4;d5;s5;s7;d8;s9;d10;s10;s12;s13;s9s14;d15;s13;s13;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H17NO5
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:8.13585
Area:450.324
Solvation:-3.12225
Coulombic:-57.3768
Bond Count [?]
All:18
Single:14
Double:4
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:255.267
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:1.84
LogP (Chemaxon):1.02

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Descriptor Annotations

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