4-[2-[dimethoxy(methyl)silyl]ethyl]benzenesulfonic acid;methoxy(trimethyl)silane

C15H30O6SSi2 — CID 157471412

IUPAC4-[2-[dimethoxy(methyl)silyl]ethyl]benzenesulfonic acid;methoxy(trimethyl)silane
SMILESCO[Si](C)(C)C.CO[Si](C)(CCc1ccc(S(=O)(=O)O)cc1)OC
InChIInChI=1S/C11H18O5SSi.C4H12OSi/c1-15-18(3,16-2)9-8-10-4-6-11(7-5-10)17(12,13)14;1-5-6(2,3)4/h4-7H,8-9H2,1-3H3,(H,12,13,14);1-4H3
InChIKeyBVBULFJALJPOQZ-UHFFFAOYSA-N
MW394.64 g/mol
LogP3.31
Rot. Bonds7

About 4-[2-[dimethoxy(methyl)silyl]ethyl]benzenesulfonic acid;methoxy(trimethyl)silane

4-[2-[dimethoxy(methyl)silyl]ethyl]benzenesulfonic acid;methoxy(trimethyl)silane (PubChem CID 157471412) has the molecular formula C15H30O6SSi2 and a molecular weight of 394.64 g/mol. Its IUPAC name is 4-[2-[dimethoxy(methyl)silyl]ethyl]benzenesulfonic acid;methoxy(trimethyl)silane.

Molecular Properties

Compound Name4-[2-[dimethoxy(methyl)silyl]ethyl]benzenesulfonic acid;methoxy(trimethyl)silane
PubChem CID157471412
Molecular FormulaC15H30O6SSi2
Molecular Weight394.64 g/mol
Exact Mass394.13
IUPAC Name4-[2-[dimethoxy(methyl)silyl]ethyl]benzenesulfonic acid;methoxy(trimethyl)silane
SMILESCO[Si](C)(C)C.CO[Si](C)(CCc1ccc(S(=O)(=O)O)cc1)OC
InChIInChI=1S/C11H18O5SSi.C4H12OSi/c1-15-18(3,16-2)9-8-10-4-6-11(7-5-10)17(12,13)14;1-5-6(2,3)4/h4-7H,8-9H2,1-3H3,(H,12,13,14);1-4H3
InChIKeyBVBULFJALJPOQZ-UHFFFAOYSA-N
XLogP3.31
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.64
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

4-[2-[dimethoxy(methyl)silyl]ethyl]benzenesulfonyl bromide
CID 139944643
4-(2-trihydroxysilylethyl)benzenesulfonic acid
CID 10890738
dimethoxy-methyl-[2-[4-(2,2,4,4,4-pentafluorobutylsulfonylmethyl)phenyl]ethyl]silane
CID 90224564
4-[dimethoxy-(4-sulfophenyl)silyl]benzenesulfonic acid
CID 132580351
4-octatriacontylbenzenesulfonic acid
CID 101306527
4-pentatetracontylbenzenesulfonic acid
CID 101306652
4-heptacosylbenzenesulfonic acid
CID 101306334
4-(2-acetamidoethyl)benzenesulfonic acid;hydrochloride
CID 174437007
4-[3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propyl]benzenesulfonic acid
CID 139432783
4-(tripropylsilylmethyl)benzenesulfonic acid
CID 87329707
4-ethylbenzenesulfonic acid
CID 144748480
4-[2-[hydroxy(dimethoxy)silyl]ethyl]benzenesulfonate;scandium(3+);bis(trifluoromethanesulfonate)
CID 101426349

Frequently Asked Questions

What is the IUPAC name of 4-[2-[dimethoxy(methyl)silyl]ethyl]benzenesulfonic acid;methoxy(trimethyl)silane?
The IUPAC name of 4-[2-[dimethoxy(methyl)silyl]ethyl]benzenesulfonic acid;methoxy(trimethyl)silane (CID 157471412) is 4-[2-[dimethoxy(methyl)silyl]ethyl]benzenesulfonic acid;methoxy(trimethyl)silane.
What is the SMILES notation for 4-[2-[dimethoxy(methyl)silyl]ethyl]benzenesulfonic acid;methoxy(trimethyl)silane?
The canonical SMILES for 4-[2-[dimethoxy(methyl)silyl]ethyl]benzenesulfonic acid;methoxy(trimethyl)silane is CO[Si](C)(C)C.CO[Si](C)(CCc1ccc(S(=O)(=O)O)cc1)OC.
What is the InChIKey of 4-[2-[dimethoxy(methyl)silyl]ethyl]benzenesulfonic acid;methoxy(trimethyl)silane?
The InChIKey is BVBULFJALJPOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O5SSi.C4H12OSi/c1-15-18(3,16-2)9-8-10-4-6-11(7-5-10)17(12,13)14;1-5-6(2,3)4/h4-7H,8-9H2,1-3H3,(H,12,13,14);1-4H3.
What are the key properties of 4-[2-[dimethoxy(methyl)silyl]ethyl]benzenesulfonic acid;methoxy(trimethyl)silane?
4-[2-[dimethoxy(methyl)silyl]ethyl]benzenesulfonic acid;methoxy(trimethyl)silane has a molecular weight of 394.64 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[dimethoxy(methyl)silyl]ethyl]benzenesulfonic acid;methoxy(trimethyl)silane is sourced from PubChem (CID 157471412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).