7-(benzenesulfonyl)-3-trimethylsilyl-1,4,5,6-tetrahydroinden-2-one

C18H22O3SSi — CID 10926063

IUPAC7-(benzenesulfonyl)-3-trimethylsilyl-1,4,5,6-tetrahydroinden-2-one
SMILESC[Si](C)(C)C1=C2CCCC(S(=O)(=O)c3ccccc3)=C2CC1=O
InChIInChI=1S/C18H22O3SSi/c1-23(2,3)18-14-10-7-11-17(15(14)12-16(18)19)22(20,21)13-8-5-4-6-9-13/h4-6,8-9H,7,10-12H2,1-3H3
InChIKeyKJUNKPGZQPVVJY-UHFFFAOYSA-N
MW346.52 g/mol
LogP4.05
Rot. Bonds3

About 7-(benzenesulfonyl)-3-trimethylsilyl-1,4,5,6-tetrahydroinden-2-one

7-(benzenesulfonyl)-3-trimethylsilyl-1,4,5,6-tetrahydroinden-2-one (PubChem CID 10926063) has the molecular formula C18H22O3SSi and a molecular weight of 346.52 g/mol. Its IUPAC name is 7-(benzenesulfonyl)-3-trimethylsilyl-1,4,5,6-tetrahydroinden-2-one.

Molecular Properties

Compound Name7-(benzenesulfonyl)-3-trimethylsilyl-1,4,5,6-tetrahydroinden-2-one
PubChem CID10926063
Molecular FormulaC18H22O3SSi
Molecular Weight346.52 g/mol
Exact Mass346.11
IUPAC Name7-(benzenesulfonyl)-3-trimethylsilyl-1,4,5,6-tetrahydroinden-2-one
SMILESC[Si](C)(C)C1=C2CCCC(S(=O)(=O)c3ccccc3)=C2CC1=O
InChIInChI=1S/C18H22O3SSi/c1-23(2,3)18-14-10-7-11-17(15(14)12-16(18)19)22(20,21)13-8-5-4-6-9-13/h4-6,8-9H,7,10-12H2,1-3H3
InChIKeyKJUNKPGZQPVVJY-UHFFFAOYSA-N
XLogP4.05
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.52
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

8-(benzenesulfonyl)-3-trimethylsilyl-4,5,6,7-tetrahydro-1H-azulen-2-one
CID 11337357
3-[2-(Benzenesulfonyl)propan-2-yl]-2-methylcyclopent-2-en-1-one
CID 11832749
8-(benzenesulfonyl)-4,5,6,7-tetrahydro-1H-azulen-2-one
CID 12046702
1-[3-(Benzenesulfonyl)cyclopenten-1-yl]ethanone
CID 12567171
1-[3-(Benzenesulfonyl)-3-methyl-1-cyclopentenyl]-ethanone
CID 12567173
2-(Benzenesulfonyl)-2-[2-(trimethylsilylmethyl)prop-2-enyl]cyclopentan-1-one
CID 12729180
3-[1-(Benzenesulfonyl)ethyl]-2-methylcyclopent-2-en-1-one
CID 15828852
2-(Benzenesulfonyl)-2-(4-trimethylsilylbut-2-enyl)cyclohexan-1-one
CID 74074484
2-(Benzenesulfonylmethyl)-3-butylcyclopent-2-en-1-one
CID 86164354
2-(Benzenesulfonyl)-2-phenyl-3-trimethylsilylcyclopropan-1-one
CID 100933067
8-(benzenesulfonyl)-1-methyl-3-trimethylsilyl-4,5,6,7-tetrahydro-1H-azulen-2-one
CID 101730492
2-(Benzenesulfonyl)-2-[2-(trimethylsilylmethyl)buta-2,3-dienyl]cyclopentan-1-one
CID 134888314

Frequently Asked Questions

What is the IUPAC name of 7-(benzenesulfonyl)-3-trimethylsilyl-1,4,5,6-tetrahydroinden-2-one?
The IUPAC name of 7-(benzenesulfonyl)-3-trimethylsilyl-1,4,5,6-tetrahydroinden-2-one (CID 10926063) is 7-(benzenesulfonyl)-3-trimethylsilyl-1,4,5,6-tetrahydroinden-2-one.
What is the SMILES notation for 7-(benzenesulfonyl)-3-trimethylsilyl-1,4,5,6-tetrahydroinden-2-one?
The canonical SMILES for 7-(benzenesulfonyl)-3-trimethylsilyl-1,4,5,6-tetrahydroinden-2-one is C[Si](C)(C)C1=C2CCCC(S(=O)(=O)c3ccccc3)=C2CC1=O.
What is the InChIKey of 7-(benzenesulfonyl)-3-trimethylsilyl-1,4,5,6-tetrahydroinden-2-one?
The InChIKey is KJUNKPGZQPVVJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O3SSi/c1-23(2,3)18-14-10-7-11-17(15(14)12-16(18)19)22(20,21)13-8-5-4-6-9-13/h4-6,8-9H,7,10-12H2,1-3H3.
What are the key properties of 7-(benzenesulfonyl)-3-trimethylsilyl-1,4,5,6-tetrahydroinden-2-one?
7-(benzenesulfonyl)-3-trimethylsilyl-1,4,5,6-tetrahydroinden-2-one has a molecular weight of 346.52 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(benzenesulfonyl)-3-trimethylsilyl-1,4,5,6-tetrahydroinden-2-one is sourced from PubChem (CID 10926063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).