Chemical ID: 6335898

CC(=CC(=O)C1CCC(=O)CC1)C
Chemical ID:
6335898
Name [?]:
4-(3-methylbut-2-enoyl)cyclohexan-1-one
SMILES [?]:
CC(=CC(=O)C1CCC(=O)CC1)C
InChi [?]:
InChI=1/C11H16O2/c1-8(2)7-11(13)9-3-5-10(12)6-4-9/h7,9H,3-6H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,13,7,12,8,11,3,2,6,9,4,10,5/E:(1,2)(3,4)(5,6)/rA:13nCCCCOCCCCOCCC/rB:s1;d2;s3;d4;s4;s6;s7;s8;d9;s9;s6s11;s2;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H16O2
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:6.06737
Area:361.428
Solvation:-2.96832
Coulombic:-13.9577
Bond Count [?]
All:13
Single:10
Double:3
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:180.244
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:0.86
LogP (Chemaxon):2.66

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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