O-[2-[difluoro(methyl)silyl]ethyl] ethanethioate;O-(2,3-dimethyl-3-trimethylsilylbutan-2-yl) ethanethioate;O-(2-methyl-1-trimethylsilylpropan-2-yl) ethanethioate;O-(2-methyl-2-trimethylsilylpropyl) ethanethioate;O-[[4-(2-trimethylsilylethoxymethoxy)phenyl]methyl] ethanethioate;O-(2-trimethylsilylethoxymethyl) ethanethioate;O-[[4-(2-trimethylsilylethoxy)phenyl]methyl] ethanethioate;O-(2-trimethylsilylethyl) ethanethioate;O-(2-trimethylsilylethylsulfanylmethyl) ethanethioate

C86H172F2O13S10Si9 — CID 159672307

IUPACO-[2-[difluoro(methyl)silyl]ethyl] ethanethioate;O-(2,3-dimethyl-3-trimethylsilylbutan-2-yl) ethanethioate;O-(2-methyl-1-trimethylsilylpropan-2-yl) ethanethioate;O-(2-methyl-2-trimethylsilylpropyl) ethanethioate;O-[[4-(2-trimethylsilylethoxymethoxy)phenyl]methyl] ethanethioate;O-(2-trimethylsilylethoxymethyl) ethanethioate;O-[[4-(2-trimethylsilylethoxy)phenyl]methyl] ethanethioate;O-(2-trimethylsilylethyl) ethanethioate;O-(2-trimethylsilylethylsulfanylmethyl) ethanethioate
SMILESCC(=S)OC(C)(C)C(C)(C)[Si](C)(C)C.CC(=S)OC(C)(C)C[Si](C)(C)C.CC(=S)OCC(C)(C)[Si](C)(C)C.CC(=S)OCC[Si](C)(C)C.CC(=S)OCC[Si](C)(F)F.CC(=S)OCOCC[Si](C)(C)C.CC(=S)OCSCC[Si](C)(C)C.CC(=S)OCc1ccc(OCC[Si](C)(C)C)cc1.CC(=S)OCc1ccc(OCOCC[Si](C)(C)C)cc1
InChIInChI=1S/C15H24O3SSi.C14H22O2SSi.C11H24OSSi.2C9H20OSSi.C8H18O2SSi.C8H18OS2Si.C7H16OSSi.C5H10F2OSSi/c1-13(19)17-11-14-5-7-15(8-6-14)18-12-16-9-10-20(2,3)4;1-12(17)16-11-13-5-7-14(8-6-13)15-9-10-18(2,3)4;1-9(13)12-10(2,3)11(4,5)14(6,7)8;1-8(11)10-9(2,3)7-12(4,5)6;1-8(11)10-7-9(2,3)12(4,5)6;1-8(11)10-7-9-5-6-12(2,3)4;1-8(10)9-7-11-5-6-12(2,3)4;1-7(9)8-5-6-10(2,3)4;1-5(9)8-3-4-10(2,6)7/h5-8H,9-12H2,1-4H3;5-8H,9-11H2,1-4H3;1-8H3;2*7H2,1-6H3;2*5-7H2,1-4H3;5-6H2,1-4H3;3-4H2,1-2H3
InChIKeyMUDOKQPUEPOFRS-UHFFFAOYSA-N
MW2025.75 g/mol
LogP30.78
Rot. Bonds39

About O-[2-[difluoro(methyl)silyl]ethyl] ethanethioate;O-(2,3-dimethyl-3-trimethylsilylbutan-2-yl) ethanethioate;O-(2-methyl-1-trimethylsilylpropan-2-yl) ethanethioate;O-(2-methyl-2-trimethylsilylpropyl) ethanethioate;O-[[4-(2-trimethylsilylethoxymethoxy)phenyl]methyl] ethanethioate;O-(2-trimethylsilylethoxymethyl) ethanethioate;O-[[4-(2-trimethylsilylethoxy)phenyl]methyl] ethanethioate;O-(2-trimethylsilylethyl) ethanethioate;O-(2-trimethylsilylethylsulfanylmethyl) ethanethioate

O-[2-[difluoro(methyl)silyl]ethyl] ethanethioate;O-(2,3-dimethyl-3-trimethylsilylbutan-2-yl) ethanethioate;O-(2-methyl-1-trimethylsilylpropan-2-yl) ethanethioate;O-(2-methyl-2-trimethylsilylpropyl) ethanethioate;O-[[4-(2-trimethylsilylethoxymethoxy)phenyl]methyl] ethanethioate;O-(2-trimethylsilylethoxymethyl) ethanethioate;O-[[4-(2-trimethylsilylethoxy)phenyl]methyl] ethanethioate;O-(2-trimethylsilylethyl) ethanethioate;O-(2-trimethylsilylethylsulfanylmethyl) ethanethioate (PubChem CID 159672307) has the molecular formula C86H172F2O13S10Si9 and a molecular weight of 2025.75 g/mol. Its IUPAC name is O-[2-[difluoro(methyl)silyl]ethyl] ethanethioate;O-(2,3-dimethyl-3-trimethylsilylbutan-2-yl) ethanethioate;O-(2-methyl-1-trimethylsilylpropan-2-yl) ethanethioate;O-(2-methyl-2-trimethylsilylpropyl) ethanethioate;O-[[4-(2-trimethylsilylethoxymethoxy)phenyl]methyl] ethanethioate;O-(2-trimethylsilylethoxymethyl) ethanethioate;O-[[4-(2-trimethylsilylethoxy)phenyl]methyl] ethanethioate;O-(2-trimethylsilylethyl) ethanethioate;O-(2-trimethylsilylethylsulfanylmethyl) ethanethioate.

Molecular Properties

Compound NameO-[2-[difluoro(methyl)silyl]ethyl] ethanethioate;O-(2,3-dimethyl-3-trimethylsilylbutan-2-yl) ethanethioate;O-(2-methyl-1-trimethylsilylpropan-2-yl) ethanethioate;O-(2-methyl-2-trimethylsilylpropyl) ethanethioate;O-[[4-(2-trimethylsilylethoxymethoxy)phenyl]methyl] ethanethioate;O-(2-trimethylsilylethoxymethyl) ethanethioate;O-[[4-(2-trimethylsilylethoxy)phenyl]methyl] ethanethioate;O-(2-trimethylsilylethyl) ethanethioate;O-(2-trimethylsilylethylsulfanylmethyl) ethanethioate
PubChem CID159672307
Molecular FormulaC86H172F2O13S10Si9
Molecular Weight2025.75 g/mol
Exact Mass2022.79
IUPAC NameO-[2-[difluoro(methyl)silyl]ethyl] ethanethioate;O-(2,3-dimethyl-3-trimethylsilylbutan-2-yl) ethanethioate;O-(2-methyl-1-trimethylsilylpropan-2-yl) ethanethioate;O-(2-methyl-2-trimethylsilylpropyl) ethanethioate;O-[[4-(2-trimethylsilylethoxymethoxy)phenyl]methyl] ethanethioate;O-(2-trimethylsilylethoxymethyl) ethanethioate;O-[[4-(2-trimethylsilylethoxy)phenyl]methyl] ethanethioate;O-(2-trimethylsilylethyl) ethanethioate;O-(2-trimethylsilylethylsulfanylmethyl) ethanethioate
SMILESCC(=S)OC(C)(C)C(C)(C)[Si](C)(C)C.CC(=S)OC(C)(C)C[Si](C)(C)C.CC(=S)OCC(C)(C)[Si](C)(C)C.CC(=S)OCC[Si](C)(C)C.CC(=S)OCC[Si](C)(F)F.CC(=S)OCOCC[Si](C)(C)C.CC(=S)OCSCC[Si](C)(C)C.CC(=S)OCc1ccc(OCC[Si](C)(C)C)cc1.CC(=S)OCc1ccc(OCOCC[Si](C)(C)C)cc1
InChIInChI=1S/C15H24O3SSi.C14H22O2SSi.C11H24OSSi.2C9H20OSSi.C8H18O2SSi.C8H18OS2Si.C7H16OSSi.C5H10F2OSSi/c1-13(19)17-11-14-5-7-15(8-6-14)18-12-16-9-10-20(2,3)4;1-12(17)16-11-13-5-7-14(8-6-13)15-9-10-18(2,3)4;1-9(13)12-10(2,3)11(4,5)14(6,7)8;1-8(11)10-9(2,3)7-12(4,5)6;1-8(11)10-7-9(2,3)12(4,5)6;1-8(11)10-7-9-5-6-12(2,3)4;1-8(10)9-7-11-5-6-12(2,3)4;1-7(9)8-5-6-10(2,3)4;1-5(9)8-3-4-10(2,6)7/h5-8H,9-12H2,1-4H3;5-8H,9-11H2,1-4H3;1-8H3;2*7H2,1-6H3;2*5-7H2,1-4H3;5-6H2,1-4H3;3-4H2,1-2H3
InChIKeyMUDOKQPUEPOFRS-UHFFFAOYSA-N
XLogP30.78
TPSA119.99 Ų
H-Bond Donors
H-Bond Acceptors23
Rotatable Bonds39
Heavy Atoms120
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002025.75
LogP ≤ 530.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze O-[2-[difluoro(methyl)silyl]ethyl] ethanethioate;O-(2,3-dimethyl-3-trimethylsilylbutan-2-yl) ethanethioate;O-(2-methyl-1-trimethylsilylpropan-2-yl) ethanethioate;O-(2-methyl-2-trimethylsilylpropyl) ethanethioate;O-[[4-(2-trimethylsilylethoxymethoxy)phenyl]methyl] ethanethioate;O-(2-trimethylsilylethoxymethyl) ethanethioate;O-[[4-(2-trimethylsilylethoxy)phenyl]methyl] ethanethioate;O-(2-trimethylsilylethyl) ethanethioate;O-(2-trimethylsilylethylsulfanylmethyl) ethanethioate with MolForge

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Related Compounds

O-[[4-(2-trimethylsilylethoxy)phenyl]methyl] ethanethioate
CID 59806211
[4-[(4-methylphenoxy)carbothioyloxymethyl]phenoxy]methyl 2,2-dimethylpropanoate
CID 161088397
(4-propoxyphenyl)methyl acetate
CID 150263336
trimethyl-[2-(phenylmethoxymethoxy)ethyl]silane
CID 15148810
1-[4-[2-[(4-acetylphenoxy)methoxy]ethoxy]phenyl]ethanone
CID 20752101
1-O-benzyl 6-O-(2-trimethylsilylethyl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxohexanedioate
CID 11305832
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[3-[(2S)-3-oxo-2-(phenylmethoxycarbonylamino)-3-(2-trimethylsilylethoxy)propyl]phenoxy]butanoic acid
CID 69387677
2-[4-(acetyloxymethyl)phenoxy]ethylcarbamic acid
CID 56998010
[4-[[tert-butyl(dimethyl)-λ4-sulfanyl]methoxy]phenyl]methyl acetate
CID 123402714
(4-methoxyphenyl)methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-(methylsulfanylmethoxy)phenyl]propanoate
CID 78033762
1-prop-1-en-2-yl-4-[2-[4-[2-[4-[2-[(4-prop-1-en-2-ylphenyl)methoxy]ethoxy]phenyl]propan-2-yl]phenyl]ethoxy]benzene
CID 18721166
N-[[4-[2-(3,3,3-trifluoropropoxy)ethoxy]phenyl]methyl]ethanamine
CID 82959534

Frequently Asked Questions

What is the IUPAC name of O-[2-[difluoro(methyl)silyl]ethyl] ethanethioate;O-(2,3-dimethyl-3-trimethylsilylbutan-2-yl) ethanethioate;O-(2-methyl-1-trimethylsilylpropan-2-yl) ethanethioate;O-(2-methyl-2-trimethylsilylpropyl) ethanethioate;O-[[4-(2-trimethylsilylethoxymethoxy)phenyl]methyl] ethanethioate;O-(2-trimethylsilylethoxymethyl) ethanethioate;O-[[4-(2-trimethylsilylethoxy)phenyl]methyl] ethanethioate;O-(2-trimethylsilylethyl) ethanethioate;O-(2-trimethylsilylethylsulfanylmethyl) ethanethioate?
The IUPAC name of O-[2-[difluoro(methyl)silyl]ethyl] ethanethioate;O-(2,3-dimethyl-3-trimethylsilylbutan-2-yl) ethanethioate;O-(2-methyl-1-trimethylsilylpropan-2-yl) ethanethioate;O-(2-methyl-2-trimethylsilylpropyl) ethanethioate;O-[[4-(2-trimethylsilylethoxymethoxy)phenyl]methyl] ethanethioate;O-(2-trimethylsilylethoxymethyl) ethanethioate;O-[[4-(2-trimethylsilylethoxy)phenyl]methyl] ethanethioate;O-(2-trimethylsilylethyl) ethanethioate;O-(2-trimethylsilylethylsulfanylmethyl) ethanethioate (CID 159672307) is O-[2-[difluoro(methyl)silyl]ethyl] ethanethioate;O-(2,3-dimethyl-3-trimethylsilylbutan-2-yl) ethanethioate;O-(2-methyl-1-trimethylsilylpropan-2-yl) ethanethioate;O-(2-methyl-2-trimethylsilylpropyl) ethanethioate;O-[[4-(2-trimethylsilylethoxymethoxy)phenyl]methyl] ethanethioate;O-(2-trimethylsilylethoxymethyl) ethanethioate;O-[[4-(2-trimethylsilylethoxy)phenyl]methyl] ethanethioate;O-(2-trimethylsilylethyl) ethanethioate;O-(2-trimethylsilylethylsulfanylmethyl) ethanethioate.
What is the SMILES notation for O-[2-[difluoro(methyl)silyl]ethyl] ethanethioate;O-(2,3-dimethyl-3-trimethylsilylbutan-2-yl) ethanethioate;O-(2-methyl-1-trimethylsilylpropan-2-yl) ethanethioate;O-(2-methyl-2-trimethylsilylpropyl) ethanethioate;O-[[4-(2-trimethylsilylethoxymethoxy)phenyl]methyl] ethanethioate;O-(2-trimethylsilylethoxymethyl) ethanethioate;O-[[4-(2-trimethylsilylethoxy)phenyl]methyl] ethanethioate;O-(2-trimethylsilylethyl) ethanethioate;O-(2-trimethylsilylethylsulfanylmethyl) ethanethioate?
The canonical SMILES for O-[2-[difluoro(methyl)silyl]ethyl] ethanethioate;O-(2,3-dimethyl-3-trimethylsilylbutan-2-yl) ethanethioate;O-(2-methyl-1-trimethylsilylpropan-2-yl) ethanethioate;O-(2-methyl-2-trimethylsilylpropyl) ethanethioate;O-[[4-(2-trimethylsilylethoxymethoxy)phenyl]methyl] ethanethioate;O-(2-trimethylsilylethoxymethyl) ethanethioate;O-[[4-(2-trimethylsilylethoxy)phenyl]methyl] ethanethioate;O-(2-trimethylsilylethyl) ethanethioate;O-(2-trimethylsilylethylsulfanylmethyl) ethanethioate is CC(=S)OC(C)(C)C(C)(C)[Si](C)(C)C.CC(=S)OC(C)(C)C[Si](C)(C)C.CC(=S)OCC(C)(C)[Si](C)(C)C.CC(=S)OCC[Si](C)(C)C.CC(=S)OCC[Si](C)(F)F.CC(=S)OCOCC[Si](C)(C)C.CC(=S)OCSCC[Si](C)(C)C.CC(=S)OCc1ccc(OCC[Si](C)(C)C)cc1.CC(=S)OCc1ccc(OCOCC[Si](C)(C)C)cc1.
What is the InChIKey of O-[2-[difluoro(methyl)silyl]ethyl] ethanethioate;O-(2,3-dimethyl-3-trimethylsilylbutan-2-yl) ethanethioate;O-(2-methyl-1-trimethylsilylpropan-2-yl) ethanethioate;O-(2-methyl-2-trimethylsilylpropyl) ethanethioate;O-[[4-(2-trimethylsilylethoxymethoxy)phenyl]methyl] ethanethioate;O-(2-trimethylsilylethoxymethyl) ethanethioate;O-[[4-(2-trimethylsilylethoxy)phenyl]methyl] ethanethioate;O-(2-trimethylsilylethyl) ethanethioate;O-(2-trimethylsilylethylsulfanylmethyl) ethanethioate?
The InChIKey is MUDOKQPUEPOFRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O3SSi.C14H22O2SSi.C11H24OSSi.2C9H20OSSi.C8H18O2SSi.C8H18OS2Si.C7H16OSSi.C5H10F2OSSi/c1-13(19)17-11-14-5-7-15(8-6-14)18-12-16-9-10-20(2,3)4;1-12(17)16-11-13-5-7-14(8-6-13)15-9-10-18(2,3)4;1-9(13)12-10(2,3)11(4,5)14(6,7)8;1-8(11)10-9(2,3)7-12(4,5)6;1-8(11)10-7-9(2,3)12(4,5)6;1-8(11)10-7-9-5-6-12(2,3)4;1-8(10)9-7-11-5-6-12(2,3)4;1-7(9)8-5-6-10(2,3)4;1-5(9)8-3-4-10(2,6)7/h5-8H,9-12H2,1-4H3;5-8H,9-11H2,1-4H3;1-8H3;2*7H2,1-6H3;2*5-7H2,1-4H3;5-6H2,1-4H3;3-4H2,1-2H3.
What are the key properties of O-[2-[difluoro(methyl)silyl]ethyl] ethanethioate;O-(2,3-dimethyl-3-trimethylsilylbutan-2-yl) ethanethioate;O-(2-methyl-1-trimethylsilylpropan-2-yl) ethanethioate;O-(2-methyl-2-trimethylsilylpropyl) ethanethioate;O-[[4-(2-trimethylsilylethoxymethoxy)phenyl]methyl] ethanethioate;O-(2-trimethylsilylethoxymethyl) ethanethioate;O-[[4-(2-trimethylsilylethoxy)phenyl]methyl] ethanethioate;O-(2-trimethylsilylethyl) ethanethioate;O-(2-trimethylsilylethylsulfanylmethyl) ethanethioate?
O-[2-[difluoro(methyl)silyl]ethyl] ethanethioate;O-(2,3-dimethyl-3-trimethylsilylbutan-2-yl) ethanethioate;O-(2-methyl-1-trimethylsilylpropan-2-yl) ethanethioate;O-(2-methyl-2-trimethylsilylpropyl) ethanethioate;O-[[4-(2-trimethylsilylethoxymethoxy)phenyl]methyl] ethanethioate;O-(2-trimethylsilylethoxymethyl) ethanethioate;O-[[4-(2-trimethylsilylethoxy)phenyl]methyl] ethanethioate;O-(2-trimethylsilylethyl) ethanethioate;O-(2-trimethylsilylethylsulfanylmethyl) ethanethioate has a molecular weight of 2025.75 g/mol, XLogP of 30.78, 39 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for O-[2-[difluoro(methyl)silyl]ethyl] ethanethioate;O-(2,3-dimethyl-3-trimethylsilylbutan-2-yl) ethanethioate;O-(2-methyl-1-trimethylsilylpropan-2-yl) ethanethioate;O-(2-methyl-2-trimethylsilylpropyl) ethanethioate;O-[[4-(2-trimethylsilylethoxymethoxy)phenyl]methyl] ethanethioate;O-(2-trimethylsilylethoxymethyl) ethanethioate;O-[[4-(2-trimethylsilylethoxy)phenyl]methyl] ethanethioate;O-(2-trimethylsilylethyl) ethanethioate;O-(2-trimethylsilylethylsulfanylmethyl) ethanethioate is sourced from PubChem (CID 159672307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).