Chemical ID: 7087888

CCOC(=O)CC(=O)c1ccc(cc1)C(C)(C)C
Chemical ID:
7087888
Name [?]:
ethyl 3-oxo-3-(4-tert-butylphenyl)-propanoate
SMILES [?]:
CCOC(=O)CC(=O)c1ccc(cc1)C(C)(C)C
InChi [?]:
InChI=1/C15H20O3/c1-5-18-14(17)10-13(16)11-6-8-12(9-7-11)15(2,3)4/h6-9H,5,10H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,16,17,18,2,10,14,11,13,6,9,12,7,4,15,8,5,3/E:(2,3,4)(6,7)(8,9)/rA:18nCCOCOCCOCCCCCCCCCC/rB:s1;s2;s3;d4;s4;s6;d7;s7;s9;d10;s11;d12;d9s13;s12;s15;s15;s15;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H20O3
All Atoms:38
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:7.89894
Area:461.262
Solvation:-3.63262
Coulombic:-25.5852
Bond Count [?]
All:18
Single:13
Double:5
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:248.318
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.2
LogP (Chemaxon):3.22

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue