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Chemical ID: 4952272
Chemical ID:
4952272
Name [?]:
N-(1,1,3,3-tetramethylbutyl)prop-2-enamide
SMILES [?]:
CC(C)(C)CC(C)(C)NC(=O)C=C
InChi [?]:
InChI=1/C11H21NO/c1-7-9(13)12-11(5,6)8-10(2,3)4/h7H,1,8H2,2-6H3,(H,12,13)
InChi Info:
AuxInfo=1/1/N:13,1,3,4,7,8,12,5,10,2,6,9,11/E:(2,3,4)(5,6)/rA:13nCCCCCCCCNCOCC/rB:s1;s2;s2;s2;s5;s6;s6;s6;s9;d10;s10;d12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H21NO |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.76509 |
Area: | 359.267 |
Solvation: | -1.21658 |
Coulombic: | -23.6176 |
Bond Count [?]
All: | 12 |
Single: | 10 |
Double: | 2 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 183.291 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.34 |
LogP (Chemaxon): | 2.43 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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