Chemical ID: 6678467

Cc1ccc(cc1)C(C)(C)CC(=O)C
Chemical ID:
6678467
Name [?]:
4-methyl-4-(p-tolyl)pentan-2-one
SMILES [?]:
Cc1ccc(cc1)C(C)(C)CC(=O)C
InChi [?]:
InChI=1/C13H18O/c1-10-5-7-12(8-6-10)13(3,4)9-11(2)14/h5-8H,9H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,14,9,10,3,7,4,6,11,2,12,5,8,13/E:(3,4)(5,6)(7,8)/rA:14nCCCCCCCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s8;s8;s11;d12;s12;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H18O
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:7.47922
Area:373.156
Solvation:-1.8497
Coulombic:-8.38189
Bond Count [?]
All:14
Single:10
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:190.281
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:3.24
LogP (Chemaxon):3.85

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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