Chemical ID: 5156287

CC(=O)C(C)(C)c1ccccc1
Chemical ID:
5156287
Name [?]:
3-methyl-3-phenyl-butan-2-one
SMILES [?]:
CC(=O)C(C)(C)c1ccccc1
InChi [?]:
InChI=1/C11H14O/c1-9(12)11(2,3)10-7-5-4-6-8-10/h4-8H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,5,6,10,9,11,8,12,2,7,4,3/E:(2,3)(5,6)(7,8)/rA:12nCCOCCCCCCCCC/rB:s1;d2;s2;s4;s4;s4;s7;d8;s9;d10;d7s11;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H14O
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:6.18236
Area:329.09
Solvation:-2.04489
Coulombic:-8.75384
Bond Count [?]
All:12
Single:8
Double:4
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:162.228
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:2.64
LogP (Chemaxon):3.45

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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