2-[8-(benzenesulfonyl)-1,4-dioxaspiro[4.5]dec-8-en-7-yl]ethyl-trimethylsilane

C19H28O4SSi — CID 13213660

IUPAC2-[8-(benzenesulfonyl)-1,4-dioxaspiro[4.5]dec-8-en-7-yl]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCC1CC2(CC=C1S(=O)(=O)c1ccccc1)OCCO2
InChIInChI=1S/C19H28O4SSi/c1-25(2,3)14-10-16-15-19(22-12-13-23-19)11-9-18(16)24(20,21)17-7-5-4-6-8-17/h4-9,16H,10-15H2,1-3H3
InChIKeyOIJNPOYKTRPLIO-UHFFFAOYSA-N
MW380.58 g/mol
LogP4.23
Rot. Bonds5

About 2-[8-(benzenesulfonyl)-1,4-dioxaspiro[4.5]dec-8-en-7-yl]ethyl-trimethylsilane

2-[8-(benzenesulfonyl)-1,4-dioxaspiro[4.5]dec-8-en-7-yl]ethyl-trimethylsilane (PubChem CID 13213660) has the molecular formula C19H28O4SSi and a molecular weight of 380.58 g/mol. Its IUPAC name is 2-[8-(benzenesulfonyl)-1,4-dioxaspiro[4.5]dec-8-en-7-yl]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[8-(benzenesulfonyl)-1,4-dioxaspiro[4.5]dec-8-en-7-yl]ethyl-trimethylsilane
PubChem CID13213660
Molecular FormulaC19H28O4SSi
Molecular Weight380.58 g/mol
Exact Mass380.15
IUPAC Name2-[8-(benzenesulfonyl)-1,4-dioxaspiro[4.5]dec-8-en-7-yl]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCC1CC2(CC=C1S(=O)(=O)c1ccccc1)OCCO2
InChIInChI=1S/C19H28O4SSi/c1-25(2,3)14-10-16-15-19(22-12-13-23-19)11-9-18(16)24(20,21)17-7-5-4-6-8-17/h4-9,16H,10-15H2,1-3H3
InChIKeyOIJNPOYKTRPLIO-UHFFFAOYSA-N
XLogP4.23
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.58
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[8-(benzenesulfonyl)-1,4-dioxaspiro[4.5]dec-8-en-7-yl]ethyl-trimethylsilane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[8-(benzenesulfonyl)-1,4-dioxaspiro[4.5]dec-8-en-7-yl]ethyl-trimethylsilane?
The IUPAC name of 2-[8-(benzenesulfonyl)-1,4-dioxaspiro[4.5]dec-8-en-7-yl]ethyl-trimethylsilane (CID 13213660) is 2-[8-(benzenesulfonyl)-1,4-dioxaspiro[4.5]dec-8-en-7-yl]ethyl-trimethylsilane.
What is the SMILES notation for 2-[8-(benzenesulfonyl)-1,4-dioxaspiro[4.5]dec-8-en-7-yl]ethyl-trimethylsilane?
The canonical SMILES for 2-[8-(benzenesulfonyl)-1,4-dioxaspiro[4.5]dec-8-en-7-yl]ethyl-trimethylsilane is C[Si](C)(C)CCC1CC2(CC=C1S(=O)(=O)c1ccccc1)OCCO2.
What is the InChIKey of 2-[8-(benzenesulfonyl)-1,4-dioxaspiro[4.5]dec-8-en-7-yl]ethyl-trimethylsilane?
The InChIKey is OIJNPOYKTRPLIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28O4SSi/c1-25(2,3)14-10-16-15-19(22-12-13-23-19)11-9-18(16)24(20,21)17-7-5-4-6-8-17/h4-9,16H,10-15H2,1-3H3.
What are the key properties of 2-[8-(benzenesulfonyl)-1,4-dioxaspiro[4.5]dec-8-en-7-yl]ethyl-trimethylsilane?
2-[8-(benzenesulfonyl)-1,4-dioxaspiro[4.5]dec-8-en-7-yl]ethyl-trimethylsilane has a molecular weight of 380.58 g/mol, XLogP of 4.23, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(benzenesulfonyl)-1,4-dioxaspiro[4.5]dec-8-en-7-yl]ethyl-trimethylsilane is sourced from PubChem (CID 13213660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).