Chemical ID: 6668972

CCC1C(C(=CC(=O)C1C)CC)C
Chemical ID:
6668972
Name [?]:
3,5-diethyl-4,6-dimethyl-cyclohex-2-en-1-one
SMILES [?]:
CCC1C(C(=CC(=O)C1C)CC)C
InChi [?]:
InChI=1/C12H20O/c1-5-10-7-12(13)9(4)11(6-2)8(10)3/h7-9,11H,5-6H2,1-4H3
InChi Info:
AuxInfo=1/0/N:12,1,13,10,11,2,6,4,9,5,3,7,8/rA:13cCCCCCCCOCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;s3s7;s9;s5;s11;s4;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H20O
All Atoms:13
Heavy Atoms:13
Chiral Atoms:3
ZAP Information [?]
Total:7.67785
Area:360.264
Solvation:-1.32875
Coulombic:-9.91956
Bond Count [?]
All:13
Single:11
Double:2
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:180.287
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:3.17
LogP (Chemaxon):3.78

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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