2-(4-benzoylphenoxy)ethyl 2,2-dimethylbutanoate;N-[4-(4-benzoylphenyl)sulfanylphenyl]-2,2-dimethylbutanamide;bis(3,3-difluoropropyl 2,2-dimethylbutanoate);2-[4-(4-methoxybenzoyl)phenoxy]ethyl 2-methylbutanoate;3-tris(trimethylsilyloxy)silylpropyl 2,2-dimethylbutanoate

C103H149F4NO20SSi4 — CID 160964021

IUPAC2-(4-benzoylphenoxy)ethyl 2,2-dimethylbutanoate;N-[4-(4-benzoylphenyl)sulfanylphenyl]-2,2-dimethylbutanamide;bis(3,3-difluoropropyl 2,2-dimethylbutanoate);2-[4-(4-methoxybenzoyl)phenoxy]ethyl 2-methylbutanoate;3-tris(trimethylsilyloxy)silylpropyl 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)Nc1ccc(Sc2ccc(C(=O)c3ccccc3)cc2)cc1.CCC(C)(C)C(=O)OCCC(F)F.CCC(C)(C)C(=O)OCCC(F)F.CCC(C)(C)C(=O)OCCC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C.CCC(C)(C)C(=O)OCCOc1ccc(C(=O)c2ccccc2)cc1.CCC(C)C(=O)OCCOc1ccc(C(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C25H25NO2S.C21H24O5.C21H24O4.C18H44O5Si4.2C9H16F2O2/c1-4-25(2,3)24(28)26-20-12-16-22(17-13-20)29-21-14-10-19(11-15-21)23(27)18-8-6-5-7-9-18;1-4-15(2)21(23)26-14-13-25-19-11-7-17(8-12-19)20(22)16-5-9-18(24-3)10-6-16;1-4-21(2,3)20(23)25-15-14-24-18-12-10-17(11-13-18)19(22)16-8-6-5-7-9-16;1-13-18(2,3)17(19)20-15-14-16-27(21-24(4,5)6,22-25(7,8)9)23-26(10,11)12;2*1-4-9(2,3)8(12)13-6-5-7(10)11/h5-17H,4H2,1-3H3,(H,26,28);5-12,15H,4,13-14H2,1-3H3;5-13H,4,14-15H2,1-3H3;13-16H2,1-12H3;2*7H,4-6H2,1-3H3
InChIKeySXJLXNFFKWHXET-UHFFFAOYSA-N
MW1941.71 g/mol
LogP25.70
Rot. Bonds46

About 2-(4-benzoylphenoxy)ethyl 2,2-dimethylbutanoate;N-[4-(4-benzoylphenyl)sulfanylphenyl]-2,2-dimethylbutanamide;bis(3,3-difluoropropyl 2,2-dimethylbutanoate);2-[4-(4-methoxybenzoyl)phenoxy]ethyl 2-methylbutanoate;3-tris(trimethylsilyloxy)silylpropyl 2,2-dimethylbutanoate

2-(4-benzoylphenoxy)ethyl 2,2-dimethylbutanoate;N-[4-(4-benzoylphenyl)sulfanylphenyl]-2,2-dimethylbutanamide;bis(3,3-difluoropropyl 2,2-dimethylbutanoate);2-[4-(4-methoxybenzoyl)phenoxy]ethyl 2-methylbutanoate;3-tris(trimethylsilyloxy)silylpropyl 2,2-dimethylbutanoate (PubChem CID 160964021) has the molecular formula C103H149F4NO20SSi4 and a molecular weight of 1941.71 g/mol. Its IUPAC name is 2-(4-benzoylphenoxy)ethyl 2,2-dimethylbutanoate;N-[4-(4-benzoylphenyl)sulfanylphenyl]-2,2-dimethylbutanamide;bis(3,3-difluoropropyl 2,2-dimethylbutanoate);2-[4-(4-methoxybenzoyl)phenoxy]ethyl 2-methylbutanoate;3-tris(trimethylsilyloxy)silylpropyl 2,2-dimethylbutanoate.

Molecular Properties

Compound Name2-(4-benzoylphenoxy)ethyl 2,2-dimethylbutanoate;N-[4-(4-benzoylphenyl)sulfanylphenyl]-2,2-dimethylbutanamide;bis(3,3-difluoropropyl 2,2-dimethylbutanoate);2-[4-(4-methoxybenzoyl)phenoxy]ethyl 2-methylbutanoate;3-tris(trimethylsilyloxy)silylpropyl 2,2-dimethylbutanoate
PubChem CID160964021
Molecular FormulaC103H149F4NO20SSi4
Molecular Weight1941.71 g/mol
Exact Mass1939.94
IUPAC Name2-(4-benzoylphenoxy)ethyl 2,2-dimethylbutanoate;N-[4-(4-benzoylphenyl)sulfanylphenyl]-2,2-dimethylbutanamide;bis(3,3-difluoropropyl 2,2-dimethylbutanoate);2-[4-(4-methoxybenzoyl)phenoxy]ethyl 2-methylbutanoate;3-tris(trimethylsilyloxy)silylpropyl 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)Nc1ccc(Sc2ccc(C(=O)c3ccccc3)cc2)cc1.CCC(C)(C)C(=O)OCCC(F)F.CCC(C)(C)C(=O)OCCC(F)F.CCC(C)(C)C(=O)OCCC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C.CCC(C)(C)C(=O)OCCOc1ccc(C(=O)c2ccccc2)cc1.CCC(C)C(=O)OCCOc1ccc(C(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C25H25NO2S.C21H24O5.C21H24O4.C18H44O5Si4.2C9H16F2O2/c1-4-25(2,3)24(28)26-20-12-16-22(17-13-20)29-21-14-10-19(11-15-21)23(27)18-8-6-5-7-9-18;1-4-15(2)21(23)26-14-13-25-19-11-7-17(8-12-19)20(22)16-5-9-18(24-3)10-6-16;1-4-21(2,3)20(23)25-15-14-24-18-12-10-17(11-13-18)19(22)16-8-6-5-7-9-16;1-13-18(2,3)17(19)20-15-14-16-27(21-24(4,5)6,22-25(7,8)9)23-26(10,11)12;2*1-4-9(2,3)8(12)13-6-5-7(10)11/h5-17H,4H2,1-3H3,(H,26,28);5-12,15H,4,13-14H2,1-3H3;5-13H,4,14-15H2,1-3H3;13-16H2,1-12H3;2*7H,4-6H2,1-3H3
InChIKeySXJLXNFFKWHXET-UHFFFAOYSA-N
XLogP25.70
TPSA267.19 Ų
H-Bond Donors1
H-Bond Acceptors21
Rotatable Bonds46
Heavy Atoms133
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001941.71
LogP ≤ 525.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 2-(4-benzoylphenoxy)ethyl 2,2-dimethylbutanoate;N-[4-(4-benzoylphenyl)sulfanylphenyl]-2,2-dimethylbutanamide;bis(3,3-difluoropropyl 2,2-dimethylbutanoate);2-[4-(4-methoxybenzoyl)phenoxy]ethyl 2-methylbutanoate;3-tris(trimethylsilyloxy)silylpropyl 2,2-dimethylbutanoate with MolForge

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Related Compounds

3-(4-benzoylphenoxy)propyl 2-methylbutanoate;(4-benzoylphenyl) 2,2-dimethylbutanoate;N-[4-(4-benzoylphenyl)sulfanylphenyl]-2,2-dimethylbutanamide;2-[2-[4-(4-benzoylphenyl)sulfanylphenyl]ethoxy]ethyl 2-methylbutanoate;2-[4-(4-cyanobenzoyl)phenoxy]ethyl 2,2-dimethylbutanoate;2-[4-(4-methylbenzoyl)phenoxy]ethyl 2,2-dimethylbutanoate;2-[4-(4-phenylbenzoyl)phenoxy]ethyl 2-methylbutanoate
CID 158513062
N-[4-(4-benzoylphenyl)sulfanylphenyl]-2,2-dimethylbutanamide
CID 59476635
2-[2-[4-(4-benzoylphenyl)sulfanylphenyl]ethoxy]ethyl 2,2-dimethylbutanoate
CID 59476634
[4-[2-(2,2-dimethylbutanoyloxy)ethoxy]-3,5-dimethylphenyl]-diphenylsulfanium;[4-[2-(2,2-dimethylbutanoyloxy)ethoxy]phenyl]-diphenylsulfanium;[4-[2-(2-methylbutanoyloxy)ethoxy]phenyl]-diphenylsulfanium
CID 161404527
2-[4-(2-hydroxy-2-methylpropanoyl)phenoxy]ethyl 2,2-dimethylbutanoate;bis(2-[4-(2-hydroxy-2-methylpropanoyl)phenoxy]ethyl 2-methylbutanoate);oxiran-2-ylmethyl 2,2-dimethylbutanoate;bis(oxiran-2-ylmethyl 2-methylbutanoate)
CID 157414291
2-(4-triphenylgermylphenoxy)ethyl 2,2-dimethylbutanoate;2-(4-triphenylgermylphenoxy)ethyl 2-methylbutanoate;2-(4-triphenylsilylphenoxy)ethyl 2,2-dimethylbutanoate;2-(4-triphenylsilylphenoxy)ethyl 2-methylbutanoate;2-(4-tritylphenoxy)ethyl 2,2-dimethylbutanoate;2-(4-tritylphenoxy)ethyl 2-methylbutanoate
CID 162095544
2-(4-triphenylsilylphenoxy)ethyl 2,2-dimethylbutanoate
CID 156654620
11-(4-benzoylphenoxy)undecyl 2-bromo-2-methylpropanoate
CID 153483732
6-[4-(4-methoxyphenyl)phenoxy]hexyl 2-methylbutanoate
CID 22983350
dipotassium;4-butan-2-yl-N-(trifluoromethylsulfonyl)benzenecarboximidate;3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propyl 2,2-dimethylbutanoate;2-(2-ethoxyethoxy)ethyl 2-methylbutanoate;4-(4-methylpentoxy)-N-(trifluoromethylsulfonyl)benzenecarboximidate;4-methylpentyl 2,2-dimethylbutanoate
CID 167698716
2-(2,2-dimethylbutanoyloxy)ethyl 4-hydroxybenzoate;tetrakis(2-hydroxyethyl 2-methylbutanoate);2-[(4-hydroxyphenyl)carbamoylamino]ethyl 2,2-dimethylbutanoate;N-(3-hydroxyphenyl)-2,2-dimethylbutanamide;(4-hydroxyphenyl)methyl 2,2-dimethylbutanoate;methane
CID 160890224
2-(4-tritylphenoxy)ethyl 2,2-dimethylbutanoate
CID 156654615

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzoylphenoxy)ethyl 2,2-dimethylbutanoate;N-[4-(4-benzoylphenyl)sulfanylphenyl]-2,2-dimethylbutanamide;bis(3,3-difluoropropyl 2,2-dimethylbutanoate);2-[4-(4-methoxybenzoyl)phenoxy]ethyl 2-methylbutanoate;3-tris(trimethylsilyloxy)silylpropyl 2,2-dimethylbutanoate?
The IUPAC name of 2-(4-benzoylphenoxy)ethyl 2,2-dimethylbutanoate;N-[4-(4-benzoylphenyl)sulfanylphenyl]-2,2-dimethylbutanamide;bis(3,3-difluoropropyl 2,2-dimethylbutanoate);2-[4-(4-methoxybenzoyl)phenoxy]ethyl 2-methylbutanoate;3-tris(trimethylsilyloxy)silylpropyl 2,2-dimethylbutanoate (CID 160964021) is 2-(4-benzoylphenoxy)ethyl 2,2-dimethylbutanoate;N-[4-(4-benzoylphenyl)sulfanylphenyl]-2,2-dimethylbutanamide;bis(3,3-difluoropropyl 2,2-dimethylbutanoate);2-[4-(4-methoxybenzoyl)phenoxy]ethyl 2-methylbutanoate;3-tris(trimethylsilyloxy)silylpropyl 2,2-dimethylbutanoate.
What is the SMILES notation for 2-(4-benzoylphenoxy)ethyl 2,2-dimethylbutanoate;N-[4-(4-benzoylphenyl)sulfanylphenyl]-2,2-dimethylbutanamide;bis(3,3-difluoropropyl 2,2-dimethylbutanoate);2-[4-(4-methoxybenzoyl)phenoxy]ethyl 2-methylbutanoate;3-tris(trimethylsilyloxy)silylpropyl 2,2-dimethylbutanoate?
The canonical SMILES for 2-(4-benzoylphenoxy)ethyl 2,2-dimethylbutanoate;N-[4-(4-benzoylphenyl)sulfanylphenyl]-2,2-dimethylbutanamide;bis(3,3-difluoropropyl 2,2-dimethylbutanoate);2-[4-(4-methoxybenzoyl)phenoxy]ethyl 2-methylbutanoate;3-tris(trimethylsilyloxy)silylpropyl 2,2-dimethylbutanoate is CCC(C)(C)C(=O)Nc1ccc(Sc2ccc(C(=O)c3ccccc3)cc2)cc1.CCC(C)(C)C(=O)OCCC(F)F.CCC(C)(C)C(=O)OCCC(F)F.CCC(C)(C)C(=O)OCCC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C.CCC(C)(C)C(=O)OCCOc1ccc(C(=O)c2ccccc2)cc1.CCC(C)C(=O)OCCOc1ccc(C(=O)c2ccc(OC)cc2)cc1.
What is the InChIKey of 2-(4-benzoylphenoxy)ethyl 2,2-dimethylbutanoate;N-[4-(4-benzoylphenyl)sulfanylphenyl]-2,2-dimethylbutanamide;bis(3,3-difluoropropyl 2,2-dimethylbutanoate);2-[4-(4-methoxybenzoyl)phenoxy]ethyl 2-methylbutanoate;3-tris(trimethylsilyloxy)silylpropyl 2,2-dimethylbutanoate?
The InChIKey is SXJLXNFFKWHXET-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO2S.C21H24O5.C21H24O4.C18H44O5Si4.2C9H16F2O2/c1-4-25(2,3)24(28)26-20-12-16-22(17-13-20)29-21-14-10-19(11-15-21)23(27)18-8-6-5-7-9-18;1-4-15(2)21(23)26-14-13-25-19-11-7-17(8-12-19)20(22)16-5-9-18(24-3)10-6-16;1-4-21(2,3)20(23)25-15-14-24-18-12-10-17(11-13-18)19(22)16-8-6-5-7-9-16;1-13-18(2,3)17(19)20-15-14-16-27(21-24(4,5)6,22-25(7,8)9)23-26(10,11)12;2*1-4-9(2,3)8(12)13-6-5-7(10)11/h5-17H,4H2,1-3H3,(H,26,28);5-12,15H,4,13-14H2,1-3H3;5-13H,4,14-15H2,1-3H3;13-16H2,1-12H3;2*7H,4-6H2,1-3H3.
What are the key properties of 2-(4-benzoylphenoxy)ethyl 2,2-dimethylbutanoate;N-[4-(4-benzoylphenyl)sulfanylphenyl]-2,2-dimethylbutanamide;bis(3,3-difluoropropyl 2,2-dimethylbutanoate);2-[4-(4-methoxybenzoyl)phenoxy]ethyl 2-methylbutanoate;3-tris(trimethylsilyloxy)silylpropyl 2,2-dimethylbutanoate?
2-(4-benzoylphenoxy)ethyl 2,2-dimethylbutanoate;N-[4-(4-benzoylphenyl)sulfanylphenyl]-2,2-dimethylbutanamide;bis(3,3-difluoropropyl 2,2-dimethylbutanoate);2-[4-(4-methoxybenzoyl)phenoxy]ethyl 2-methylbutanoate;3-tris(trimethylsilyloxy)silylpropyl 2,2-dimethylbutanoate has a molecular weight of 1941.71 g/mol, XLogP of 25.70, 46 rotatable bonds, 1 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzoylphenoxy)ethyl 2,2-dimethylbutanoate;N-[4-(4-benzoylphenyl)sulfanylphenyl]-2,2-dimethylbutanamide;bis(3,3-difluoropropyl 2,2-dimethylbutanoate);2-[4-(4-methoxybenzoyl)phenoxy]ethyl 2-methylbutanoate;3-tris(trimethylsilyloxy)silylpropyl 2,2-dimethylbutanoate is sourced from PubChem (CID 160964021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).