Chemical ID: 6130061

CNCCCCOc1cccc2c1OCCO2
Chemical ID:
6130061
Name [?]:
4-(2,5-dioxabicyclo[4.4.0]deca-6,8,10-trien-7-yloxy)-N-methyl-butan-1-amine
SMILES [?]:
CNCCCCOc1cccc2c1OCCO2
InChi [?]:
InChI=1/C13H19NO3/c1-14-7-2-3-8-15-11-5-4-6-12-13(11)17-10-9-16-12/h4-6,14H,2-3,7-10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,4,5,10,9,11,3,6,16,15,8,12,13,2,7,17,14/rA:17nCNCCCCOCCCCCCOCCO/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;d8s12;s13;s14;s15;s12s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H19NO3
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:6.57292
Area:441.356
Solvation:-4.46098
Coulombic:-32.8101
Bond Count [?]
All:18
Single:15
Double:3
Rotors:6
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:237.295
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.89
LogP (Chemaxon):1.23

Name Annotations

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Descriptor Annotations

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