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Chemical ID: 5254854
Chemical ID:
5254854
Name [?]:
[5-(dimethylcarbamoyloxy)-3-methyl-pentyl] dimethylaminoformate
SMILES [?]:
CC(CCOC(=O)N(C)C)CCOC(=O)N(C)C
InChi [?]:
InChI=1/C12H24N2O4/c1-10(6-8-17-11(15)13(2)3)7-9-18-12(16)14(4)5/h10H,6-9H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,9,10,17,18,3,11,4,12,2,6,14,8,16,7,15,5,13/E:(2,3,4,5)(6,7)(8,9)(11,12)(13,14)(15,16)(17,18)/rA:18nCCCCOCONCCCCOCONCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s8;s2;s11;s12;s13;d14;s14;s16;s16;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H24N2O4 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.93471 |
Area: | 502.803 |
Solvation: | -2.63537 |
Coulombic: | -58.5934 |
Bond Count [?]
All: | 17 |
Single: | 15 |
Double: | 2 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 260.33 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 1.42 |
LogP (Chemaxon): | 1.22 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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