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Chemical ID: 5788396
Chemical ID:
5788396
Name [?]:
tert-butyl [1-(cyclohexylmethyl)-2-hydroxy-ethyl]aminoformate
SMILES [?]:
CC(C)(C)OC(=O)NC(CC1CCCCC1)CO
InChi [?]:
InChI=1/C14H27NO3/c1-14(2,3)18-13(17)15-12(10-16)9-11-7-5-4-6-8-11/h11-12,16H,4-10H2,1-3H3,(H,15,17)
InChi Info:
AuxInfo=1/1/N:1,3,4,14,13,15,12,16,10,17,11,9,6,2,8,18,7,5/E:(1,2,3)(5,6)(7,8)/rA:18cCCCCOCONCCCCCCCCCO/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;s10;s11;s12;s13;s14;s11s15;s9;s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H27NO3 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.34854 |
Area: | 466.47 |
Solvation: | -2.31321 |
Coulombic: | -51.8336 |
Bond Count [?]
All: | 18 |
Single: | 17 |
Double: | 1 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 257.369 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 3.73 |
LogP (Chemaxon): | 2.52 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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