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Chemical ID: 5174486
Chemical ID:
5174486
Name [?]:
(4-pentylcyclohexyl) methylaminoformate
SMILES [?]:
CCCCCC1CCC(CC1)OC(=O)NC
InChi [?]:
InChI=1/C13H25NO2/c1-3-4-5-6-11-7-9-12(10-8-11)16-13(15)14-2/h11-12H,3-10H2,1-2H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,16,2,3,4,5,7,11,8,10,6,9,13,15,14,12/E:(7,8)(9,10)/rA:16nCCCCCCCCCCCOCONC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s6s10;s9;s12;d13;s13;s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H25NO2 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.0598 |
Area: | 452.178 |
Solvation: | -1.24464 |
Coulombic: | -35.9512 |
Bond Count [?]
All: | 16 |
Single: | 15 |
Double: | 1 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 227.343 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.49 |
LogP (Chemaxon): | 3.34 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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