Chemical ID: 4729360

Cc1c(c(c(c(c1C)C)C(=O)C)C)C
Chemical ID:
4729360
Name [?]:
1-(2,3,4,5,6-pentamethylphenyl)ethanone
SMILES [?]:
Cc1c(c(c(c(c1C)C)C(=O)C)C)C
InChi [?]:
InChI=1/C13H18O/c1-7-8(2)10(4)13(12(6)14)11(5)9(7)3/h1-6H3
InChi Info:
AuxInfo=1/0/N:1,8,14,9,13,12,2,7,3,6,4,10,5,11/E:(2,3)(4,5)(8,9)(10,11)/rA:14nCCCCCCCCCCOCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s5;d10;s10;s4;s3;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H18O
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:7.43067
Area:364.408
Solvation:-1.67953
Coulombic:-7.94805
Bond Count [?]
All:14
Single:10
Double:4
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:190.281
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:4.05
LogP (Chemaxon):3.69

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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