Chemical ID: 5600661

COC(=O)CCNC1CCCCCCC1
Chemical ID:
5600661
Name [?]:
methyl 3-cyclooctylaminopropanoate
SMILES [?]:
COC(=O)CCNC1CCCCCCC1
InChi [?]:
InChI=1/C12H23NO2/c1-15-12(14)9-10-13-11-7-5-3-2-4-6-8-11/h11,13H,2-10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,12,11,13,10,14,9,15,5,6,8,3,7,4,2/E:(3,4)(5,6)(7,8)/rA:15nCOCOCCNCCCCCCCC/rB:s1;s2;d3;s3;s5;s6;s7;s8;s9;s10;s11;s12;s13;s8s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H23NO2
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:8.50259
Area:412.86
Solvation:-1.81892
Coulombic:-27.8121
Bond Count [?]
All:15
Single:14
Double:1
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:213.317
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.08
LogP (Chemaxon):1.93

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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