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Chemical ID: 6511629
Chemical ID:
6511629
Name [?]:
8-methyl-6-oxabicyclo[5.4.0]undeca-7,9,11-trien-2-one
SMILES [?]:
Cc1cccc2c1OCCCC2=O
InChi [?]:
InChI=1/C11H12O2/c1-8-4-2-5-9-10(12)6-3-7-13-11(8)9/h2,4-5H,3,6-7H2,1H3
InChi Info:
AuxInfo=1/0/N:1,4,10,3,5,11,9,2,6,12,7,13,8/rA:13nCCCCCCCOCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;s10;s6s11;d12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H12O2 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.33217 |
Area: | 326.887 |
Solvation: | -2.84 |
Coulombic: | -15.5631 |
Bond Count [?]
All: | 14 |
Single: | 10 |
Double: | 4 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 176.212 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 1.98 |
LogP (Chemaxon): | 1.71 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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