Chemical ID: 5496834

Cc1ccc(c2c1C(=O)CCC2)OC
Chemical ID:
5496834
Name [?]:
5-methoxy-8-methyl-tetralin-1-one
SMILES [?]:
Cc1ccc(c2c1C(=O)CCC2)OC
InChi [?]:
InChI=1/C12H14O2/c1-8-6-7-11(14-2)9-4-3-5-10(13)12(8)9/h6-7H,3-5H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,14,11,12,10,3,4,2,6,8,5,7,9,13/rA:14nCCCCCCCCOCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;s10;s6s11;s5;s13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H14O2
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:6.06112
Area:343.986
Solvation:-2.53852
Coulombic:-15.4545
Bond Count [?]
All:15
Single:11
Double:4
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:190.238
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.25
LogP (Chemaxon):2.16

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