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Chemical ID: 4926962
Chemical ID:
4926962
Name [?]:
3-(methoxymethoxy)-11-methyl-13-oxabicyclo[8.2.1]trideca-4,10,12-triene
SMILES [?]:
Cc1cc2oc1CCCCC=CC(C2)OCOC
InChi [?]:
InChI=1/C15H22O3/c1-12-9-14-10-13(17-11-16-2)7-5-3-4-6-8-15(12)18-14/h5,7,9,13H,3-4,6,8,10-11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,18,10,9,11,8,12,7,3,14,16,2,13,4,6,17,15,5/rA:18cCCCCOCCCCCCCCCOCOC/rB:s1;s2;d3;s4;d2s5;s6;s7;s8;s9;s10;w11;s12;s4s13;s13;s15;s16;s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H22O3 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.23801 |
Area: | 416.019 |
Solvation: | -3.16246 |
Coulombic: | -24.2976 |
Bond Count [?]
All: | 19 |
Single: | 16 |
Double: | 3 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 250.333 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 2.53 |
LogP (Chemaxon): | 3.0 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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