Chemical ID: 5249788

CC1CCC(CC1)C(=O)C
Chemical ID:
5249788
Name [?]:
1-(4-methylcyclohexyl)ethanone
SMILES [?]:
CC1CCC(CC1)C(=O)C
InChi [?]:
InChI=1/C9H16O/c1-7-3-5-9(6-4-7)8(2)10/h7,9H,3-6H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,3,7,4,6,2,8,5,9/E:(3,4)(5,6)/rA:10nCCCCCCCCOC/rB:s1;s2;s3;s4;s5;s2s6;s5;d8;s8;/rC:;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H16O
All Atoms:10
Heavy Atoms:10
Chiral Atoms:0
ZAP Information [?]
Total:6.12407
Area:306.811
Solvation:-1.54622
Coulombic:-7.72179
Bond Count [?]
All:10
Single:9
Double:1
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:140.223
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:2.61
LogP (Chemaxon):2.59

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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