Chemical ID: 4732462

CCC(C)(C)C(=O)c1ccccc1
Chemical ID:
4732462
Name [?]:
2,2-dimethyl-1-phenyl-butan-1-one
SMILES [?]:
CCC(C)(C)C(=O)c1ccccc1
InChi [?]:
InChI=1/C12H16O/c1-4-12(2,3)11(13)10-8-6-5-7-9-10/h5-9H,4H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,4,5,2,11,10,12,9,13,8,6,3,7/E:(2,3)(6,7)(8,9)/rA:13nCCCCCCOCCCCCC/rB:s1;s2;s3;s3;s3;d6;s6;s8;d9;s10;d11;d8s12;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H16O
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:7.31406
Area:348.413
Solvation:-1.39627
Coulombic:-11.0035
Bond Count [?]
All:13
Single:9
Double:4
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:176.255
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:3.18
LogP (Chemaxon):3.61

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Descriptor Annotations

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