Chemical ID: 4916235

C1CCCC2(CCC(=O)C=C2)C(=O)CC1
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

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