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

C20H26O4SSi — CID 10668156

IUPAC[1-(benzenesulfonyl)-2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-dimethyl-phenylsilane
SMILESCC1(CC([Si](C)(C)c2ccccc2)S(=O)(=O)c2ccccc2)OCCO1
InChIInChI=1S/C20H26O4SSi/c1-20(23-14-15-24-20)16-19(25(21,22)17-10-6-4-7-11-17)26(2,3)18-12-8-5-9-13-18/h4-13,19H,14-16H2,1-3H3
InChIKeyLPLOQWUHSYWERU-UHFFFAOYSA-N
MW390.58 g/mol
LogP3.14
Rot. Bonds6

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

[1-(benzenesulfonyl)-2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-dimethyl-phenylsilane (PubChem CID 10668156) has the molecular formula C20H26O4SSi and a molecular weight of 390.58 g/mol. Its IUPAC name is [1-(benzenesulfonyl)-2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-dimethyl-phenylsilane.

Molecular Properties

Compound Name[1-(benzenesulfonyl)-2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-dimethyl-phenylsilane
PubChem CID10668156
Molecular FormulaC20H26O4SSi
Molecular Weight390.58 g/mol
Exact Mass390.13
IUPAC Name[1-(benzenesulfonyl)-2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-dimethyl-phenylsilane
SMILESCC1(CC([Si](C)(C)c2ccccc2)S(=O)(=O)c2ccccc2)OCCO1
InChIInChI=1S/C20H26O4SSi/c1-20(23-14-15-24-20)16-19(25(21,22)17-10-6-4-7-11-17)26(2,3)18-12-8-5-9-13-18/h4-13,19H,14-16H2,1-3H3
InChIKeyLPLOQWUHSYWERU-UHFFFAOYSA-N
XLogP3.14
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.58
LogP ≤ 53.14
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-[3-(Benzenesulfonyl)propyl]-1,3-dioxolane
CID 11118676
1,3-Dioxolane, 2-[2-(phenylsulfonyl)ethyl]-
CID 11096791
(4R)-4-[(2S)-1-(benzenesulfonyl)propan-2-yl]-2,2-dimethyl-1,3-dioxolane
CID 11832967
1,3-Dioxolane, 2-methyl-2-[2-(phenylsulfonyl)ethyl]-
CID 12222743
[1-(Benzenesulfonyl)-2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-trimethylsilane
CID 12842285
8-(Benzenesulfonyl)-1,4-dioxaspiro[4.5]dec-7-ene
CID 13213581
(4R)-4-[2-(benzenesulfonyl)ethyl]-2,2-dimethyl-1,3-dioxolane
CID 102189636
Lithium 2-[2-(benzenesulfonyl)ethyl]-2-methyl-1,3-dioxolane
CID 134874876
[(E)-4-[(2S,6S)-6-[2-(benzenesulfonyl)ethyl]-6-methoxy-2,5-dihydropyran-2-yl]but-3-enoxy]-tri(propan-2-yl)silane
CID 134886730
(4R,5R)-4,5-bis[1-(benzenesulfonyl)propa-1,2-dienyl]-2,2-diethyl-1,3-dioxolane
CID 135066349
(4R)-4-[2-(benzenesulfonyl)ethyl]-2-methyl-1,3-dioxolane
CID 138968731
4-[2-(Benzenesulfonyl)ethyl]-2,2-dimethyl-1,3-dioxolane
CID 166441229

Frequently Asked Questions

What is the IUPAC name of [1-(benzenesulfonyl)-2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-dimethyl-phenylsilane?
The IUPAC name of [1-(benzenesulfonyl)-2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-dimethyl-phenylsilane (CID 10668156) is [1-(benzenesulfonyl)-2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-dimethyl-phenylsilane.
What is the SMILES notation for [1-(benzenesulfonyl)-2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-dimethyl-phenylsilane?
The canonical SMILES for [1-(benzenesulfonyl)-2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-dimethyl-phenylsilane is CC1(CC([Si](C)(C)c2ccccc2)S(=O)(=O)c2ccccc2)OCCO1.
What is the InChIKey of [1-(benzenesulfonyl)-2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-dimethyl-phenylsilane?
The InChIKey is LPLOQWUHSYWERU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O4SSi/c1-20(23-14-15-24-20)16-19(25(21,22)17-10-6-4-7-11-17)26(2,3)18-12-8-5-9-13-18/h4-13,19H,14-16H2,1-3H3.
What are the key properties of [1-(benzenesulfonyl)-2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-dimethyl-phenylsilane?
[1-(benzenesulfonyl)-2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-dimethyl-phenylsilane has a molecular weight of 390.58 g/mol, XLogP of 3.14, 6 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]-dimethyl-phenylsilane is sourced from PubChem (CID 10668156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).