[1-(benzenesulfonyl)-2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-tert-butyl-dimethylsilane

C18H30O4SSi — CID 10499418

IUPAC[1-(benzenesulfonyl)-2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-tert-butyl-dimethylsilane
SMILESCC1(CC([Si](C)(C)C(C)(C)C)S(=O)(=O)c2ccccc2)OCCO1
InChIInChI=1S/C18H30O4SSi/c1-17(2,3)24(5,6)16(14-18(4)21-12-13-22-18)23(19,20)15-10-8-7-9-11-15/h7-11,16H,12-14H2,1-6H3
InChIKeyBOLRRKJAXOXWME-UHFFFAOYSA-N
MW370.59 g/mol
LogP4.03
Rot. Bonds5

About [1-(benzenesulfonyl)-2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-tert-butyl-dimethylsilane

[1-(benzenesulfonyl)-2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-tert-butyl-dimethylsilane (PubChem CID 10499418) has the molecular formula C18H30O4SSi and a molecular weight of 370.59 g/mol. Its IUPAC name is [1-(benzenesulfonyl)-2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[1-(benzenesulfonyl)-2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-tert-butyl-dimethylsilane
PubChem CID10499418
Molecular FormulaC18H30O4SSi
Molecular Weight370.59 g/mol
Exact Mass370.16
IUPAC Name[1-(benzenesulfonyl)-2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-tert-butyl-dimethylsilane
SMILESCC1(CC([Si](C)(C)C(C)(C)C)S(=O)(=O)c2ccccc2)OCCO1
InChIInChI=1S/C18H30O4SSi/c1-17(2,3)24(5,6)16(14-18(4)21-12-13-22-18)23(19,20)15-10-8-7-9-11-15/h7-11,16H,12-14H2,1-6H3
InChIKeyBOLRRKJAXOXWME-UHFFFAOYSA-N
XLogP4.03
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.59
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [1-(benzenesulfonyl)-2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-tert-butyl-dimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
3,3,3-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
[(2S)-4-(benzenesulfonyl)butan-2-yl]oxy-tert-butyl-dimethylsilane
CID 11012900
[(2R)-4-(benzenesulfonyl)-1-ethoxycarbonyloxybutan-2-yl] ethyl carbonate
CID 11337799
(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

Frequently Asked Questions

What is the IUPAC name of [1-(benzenesulfonyl)-2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-tert-butyl-dimethylsilane?
The IUPAC name of [1-(benzenesulfonyl)-2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-tert-butyl-dimethylsilane (CID 10499418) is [1-(benzenesulfonyl)-2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-tert-butyl-dimethylsilane.
What is the SMILES notation for [1-(benzenesulfonyl)-2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-tert-butyl-dimethylsilane?
The canonical SMILES for [1-(benzenesulfonyl)-2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-tert-butyl-dimethylsilane is CC1(CC([Si](C)(C)C(C)(C)C)S(=O)(=O)c2ccccc2)OCCO1.
What is the InChIKey of [1-(benzenesulfonyl)-2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-tert-butyl-dimethylsilane?
The InChIKey is BOLRRKJAXOXWME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O4SSi/c1-17(2,3)24(5,6)16(14-18(4)21-12-13-22-18)23(19,20)15-10-8-7-9-11-15/h7-11,16H,12-14H2,1-6H3.
What are the key properties of [1-(benzenesulfonyl)-2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-tert-butyl-dimethylsilane?
[1-(benzenesulfonyl)-2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-tert-butyl-dimethylsilane has a molecular weight of 370.59 g/mol, XLogP of 4.03, 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]-tert-butyl-dimethylsilane is sourced from PubChem (CID 10499418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).