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Chemical ID: 5496834
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
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Experimental Annotations
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Descriptor Annotations
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