6-tri(propan-2-yl)silylsulfanyl-2,3-dihydroinden-1-one

C18H28OSSi — CID 19969416

IUPAC6-tri(propan-2-yl)silylsulfanyl-2,3-dihydroinden-1-one
SMILESCC(C)[Si](Sc1ccc2c(c1)C(=O)CC2)(C(C)C)C(C)C
InChIInChI=1S/C18H28OSSi/c1-12(2)21(13(3)4,14(5)6)20-16-9-7-15-8-10-18(19)17(15)11-16/h7,9,11-14H,8,10H2,1-6H3
InChIKeyOZWGTKAEXXQLEN-UHFFFAOYSA-N
MW320.57 g/mol
LogP6.08
Rot. Bonds5

About 6-tri(propan-2-yl)silylsulfanyl-2,3-dihydroinden-1-one

6-tri(propan-2-yl)silylsulfanyl-2,3-dihydroinden-1-one (PubChem CID 19969416) has the molecular formula C18H28OSSi and a molecular weight of 320.57 g/mol. Its IUPAC name is 6-tri(propan-2-yl)silylsulfanyl-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name6-tri(propan-2-yl)silylsulfanyl-2,3-dihydroinden-1-one
PubChem CID19969416
Molecular FormulaC18H28OSSi
Molecular Weight320.57 g/mol
Exact Mass320.16
IUPAC Name6-tri(propan-2-yl)silylsulfanyl-2,3-dihydroinden-1-one
SMILESCC(C)[Si](Sc1ccc2c(c1)C(=O)CC2)(C(C)C)C(C)C
InChIInChI=1S/C18H28OSSi/c1-12(2)21(13(3)4,14(5)6)20-16-9-7-15-8-10-18(19)17(15)11-16/h7,9,11-14H,8,10H2,1-6H3
InChIKeyOZWGTKAEXXQLEN-UHFFFAOYSA-N
XLogP6.08
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.57
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-tri(propan-2-yl)silylsulfanyl-2,3-dihydroinden-1-one?
The IUPAC name of 6-tri(propan-2-yl)silylsulfanyl-2,3-dihydroinden-1-one (CID 19969416) is 6-tri(propan-2-yl)silylsulfanyl-2,3-dihydroinden-1-one.
What is the SMILES notation for 6-tri(propan-2-yl)silylsulfanyl-2,3-dihydroinden-1-one?
The canonical SMILES for 6-tri(propan-2-yl)silylsulfanyl-2,3-dihydroinden-1-one is CC(C)[Si](Sc1ccc2c(c1)C(=O)CC2)(C(C)C)C(C)C.
What is the InChIKey of 6-tri(propan-2-yl)silylsulfanyl-2,3-dihydroinden-1-one?
The InChIKey is OZWGTKAEXXQLEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28OSSi/c1-12(2)21(13(3)4,14(5)6)20-16-9-7-15-8-10-18(19)17(15)11-16/h7,9,11-14H,8,10H2,1-6H3.
What are the key properties of 6-tri(propan-2-yl)silylsulfanyl-2,3-dihydroinden-1-one?
6-tri(propan-2-yl)silylsulfanyl-2,3-dihydroinden-1-one has a molecular weight of 320.57 g/mol, XLogP of 6.08, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tri(propan-2-yl)silylsulfanyl-2,3-dihydroinden-1-one is sourced from PubChem (CID 19969416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).