Chemical ID: 4926962

Cc1cc2oc1CCCCC=CC(C2)OCOC
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

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