[1-(benzenesulfonyl)-2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-trimethylsilane

C15H24O4SSi — CID 12842285

IUPAC[1-(benzenesulfonyl)-2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-trimethylsilane
SMILESCC1(CC([Si](C)(C)C)S(=O)(=O)c2ccccc2)OCCO1
InChIInChI=1S/C15H24O4SSi/c1-15(18-10-11-19-15)12-14(21(2,3)4)20(16,17)13-8-6-5-7-9-13/h5-9,14H,10-12H2,1-4H3
InChIKeyMXUCWVUREWVJEX-UHFFFAOYSA-N
MW328.51 g/mol
LogP2.86
Rot. Bonds5

About [1-(benzenesulfonyl)-2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-trimethylsilane

[1-(benzenesulfonyl)-2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-trimethylsilane (PubChem CID 12842285) has the molecular formula C15H24O4SSi and a molecular weight of 328.51 g/mol. Its IUPAC name is [1-(benzenesulfonyl)-2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-trimethylsilane.

Molecular Properties

Compound Name[1-(benzenesulfonyl)-2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-trimethylsilane
PubChem CID12842285
Molecular FormulaC15H24O4SSi
Molecular Weight328.51 g/mol
Exact Mass328.12
IUPAC Name[1-(benzenesulfonyl)-2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-trimethylsilane
SMILESCC1(CC([Si](C)(C)C)S(=O)(=O)c2ccccc2)OCCO1
InChIInChI=1S/C15H24O4SSi/c1-15(18-10-11-19-15)12-14(21(2,3)4)20(16,17)13-8-6-5-7-9-13/h5-9,14H,10-12H2,1-4H3
InChIKeyMXUCWVUREWVJEX-UHFFFAOYSA-N
XLogP2.86
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.51
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,2-Dimethyl-4-(phenylsulfanylmethyl)-1,3-dioxolane
CID 85353102
[(3,3,3-Trimethoxypropyl)sulfonyl]benzene
CID 10901794
2-[3-(Benzenesulfonyl)propyl]-1,3-dioxolane
CID 11118676
2-[2-(Benzenesulfonyl)-2-fluoroethyl]-1,3-dioxolane
CID 14593286
1,3-Dioxolane, 2-[2-(phenylsulfonyl)ethyl]-
CID 11096791
3-(Benzenesulfonyl)propyl-triethoxysilane
CID 90226898
3,3,3-Triethoxypropylsulfonylbenzene
CID 2733117
(4S)-4-[(E)-3-(benzenesulfonyl)prop-1-enyl]-2,2-dimethyl-1,3-dioxolane
CID 10902077
[(2R,3R)-3-(benzenesulfonyl)oxiran-2-yl]methoxy-tert-butyl-dimethylsilane
CID 10914452
(4R)-2,2-dimethyl-4-(phenylsulfanylmethyl)-1,3-dioxolane
CID 10977116
[(2R)-4-(benzenesulfonyl)-1-ethoxycarbonyloxybutan-2-yl] ethyl carbonate
CID 11337799
(3aS,4R,6aS)-4-(benzenesulfonylmethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole
CID 11449388

Frequently Asked Questions

What is the IUPAC name of [1-(benzenesulfonyl)-2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-trimethylsilane?
The IUPAC name of [1-(benzenesulfonyl)-2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-trimethylsilane (CID 12842285) is [1-(benzenesulfonyl)-2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-trimethylsilane.
What is the SMILES notation for [1-(benzenesulfonyl)-2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-trimethylsilane?
The canonical SMILES for [1-(benzenesulfonyl)-2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-trimethylsilane is CC1(CC([Si](C)(C)C)S(=O)(=O)c2ccccc2)OCCO1.
What is the InChIKey of [1-(benzenesulfonyl)-2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-trimethylsilane?
The InChIKey is MXUCWVUREWVJEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O4SSi/c1-15(18-10-11-19-15)12-14(21(2,3)4)20(16,17)13-8-6-5-7-9-13/h5-9,14H,10-12H2,1-4H3.
What are the key properties of [1-(benzenesulfonyl)-2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-trimethylsilane?
[1-(benzenesulfonyl)-2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-trimethylsilane has a molecular weight of 328.51 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(benzenesulfonyl)-2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-trimethylsilane is sourced from PubChem (CID 12842285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).