Chemical ID: 6511629

Cc1cccc2c1OCCCC2=O
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

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