Chemical ID: 5184821

CC1CCCCN1C(=O)C2COc3ccccc3O2
Chemical ID:
5184821
Name [?]:
7,10-dioxabicyclo[4.4.0]deca-2,4,11-trien-8-yl-(2-methyl-1-piperidyl)-methanone
SMILES [?]:
CC1CCCCN1C(=O)C2COc3ccccc3O2
InChi [?]:
InChI=1/C15H19NO3/c1-11-6-4-5-9-16(11)15(17)14-10-18-12-7-2-3-8-13(12)19-14/h2-3,7-8,11,14H,4-6,9-10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,15,16,4,5,3,14,17,6,11,2,13,18,10,8,7,9,12,19/rA:19cCCCCCCNCOCCOCCCCCCO/rB:s1;s2;s3;s4;s5;s2s6;s7;d8;s8;s10;s11;s12;s13;d14;s15;d16;d13s17;s10s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H19NO3
All Atoms:19
Heavy Atoms:19
Chiral Atoms:2
ZAP Information [?]
Total:7.51497
Area:423.426
Solvation:-3.07069
Coulombic:-34.7638
Bond Count [?]
All:21
Single:17
Double:4
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:261.316
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:2.38
LogP (Chemaxon):1.86

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue