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Chemical ID: 4916235
Chemical ID:
4916235
Name [?]:
spiro[5.7]tridec-1-ene-3,13-dione
SMILES [?]:
C1CCCC2(CCC(=O)C=C2)C(=O)CC1
InChi [?]:
InChI=1/C13H18O2/c14-11-6-9-13(10-7-11)8-4-2-1-3-5-12(13)15/h6,9H,1-5,7-8,10H2
InChi Info:
AuxInfo=1/0/N:1,2,15,3,14,10,7,4,11,6,8,12,5,9,13/rA:15cCCCCCCCCOCCCOCC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s8;s5d10;s5;d12;s12;s1s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H18O2 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.32603 |
Area: | 355.033 |
Solvation: | -2.54979 |
Coulombic: | -15.8809 |
Bond Count [?]
All: | 16 |
Single: | 13 |
Double: | 3 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 206.281 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 2.32 |
LogP (Chemaxon): | 3.46 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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