[(7aS)-7a-methyl-5-sulfanyloxy-6,7-dihydroinden-1-yl]oxy-trimethylsilane

C13H20O2SSi — CID 89418240

IUPAC[(7aS)-7a-methyl-5-sulfanyloxy-6,7-dihydroinden-1-yl]oxy-trimethylsilane
SMILESC[C@]12CCC(OS)=CC1=CC=C2O[Si](C)(C)C
InChIInChI=1S/C13H20O2SSi/c1-13-8-7-11(14-16)9-10(13)5-6-12(13)15-17(2,3)4/h5-6,9,16H,7-8H2,1-4H3/t13-/m0/s1
InChIKeyDFGWTTHYCZBKQN-ZDUSSCGKSA-N
MW268.45 g/mol
LogP4.21
Rot. Bonds3

About [(7aS)-7a-methyl-5-sulfanyloxy-6,7-dihydroinden-1-yl]oxy-trimethylsilane

[(7aS)-7a-methyl-5-sulfanyloxy-6,7-dihydroinden-1-yl]oxy-trimethylsilane (PubChem CID 89418240) has the molecular formula C13H20O2SSi and a molecular weight of 268.45 g/mol. Its IUPAC name is [(7aS)-7a-methyl-5-sulfanyloxy-6,7-dihydroinden-1-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(7aS)-7a-methyl-5-sulfanyloxy-6,7-dihydroinden-1-yl]oxy-trimethylsilane
PubChem CID89418240
Molecular FormulaC13H20O2SSi
Molecular Weight268.45 g/mol
Exact Mass268.10
IUPAC Name[(7aS)-7a-methyl-5-sulfanyloxy-6,7-dihydroinden-1-yl]oxy-trimethylsilane
SMILESC[C@]12CCC(OS)=CC1=CC=C2O[Si](C)(C)C
InChIInChI=1S/C13H20O2SSi/c1-13-8-7-11(14-16)9-10(13)5-6-12(13)15-17(2,3)4/h5-6,9,16H,7-8H2,1-4H3/t13-/m0/s1
InChIKeyDFGWTTHYCZBKQN-ZDUSSCGKSA-N
XLogP4.21
TPSA18.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.45
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(7aS)-7a-methyl-5-sulfanyloxy-6,7-dihydroinden-1-yl]oxy-trimethylsilane?
The IUPAC name of [(7aS)-7a-methyl-5-sulfanyloxy-6,7-dihydroinden-1-yl]oxy-trimethylsilane (CID 89418240) is [(7aS)-7a-methyl-5-sulfanyloxy-6,7-dihydroinden-1-yl]oxy-trimethylsilane.
What is the SMILES notation for [(7aS)-7a-methyl-5-sulfanyloxy-6,7-dihydroinden-1-yl]oxy-trimethylsilane?
The canonical SMILES for [(7aS)-7a-methyl-5-sulfanyloxy-6,7-dihydroinden-1-yl]oxy-trimethylsilane is C[C@]12CCC(OS)=CC1=CC=C2O[Si](C)(C)C.
What is the InChIKey of [(7aS)-7a-methyl-5-sulfanyloxy-6,7-dihydroinden-1-yl]oxy-trimethylsilane?
The InChIKey is DFGWTTHYCZBKQN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H20O2SSi/c1-13-8-7-11(14-16)9-10(13)5-6-12(13)15-17(2,3)4/h5-6,9,16H,7-8H2,1-4H3/t13-/m0/s1.
What are the key properties of [(7aS)-7a-methyl-5-sulfanyloxy-6,7-dihydroinden-1-yl]oxy-trimethylsilane?
[(7aS)-7a-methyl-5-sulfanyloxy-6,7-dihydroinden-1-yl]oxy-trimethylsilane has a molecular weight of 268.45 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(7aS)-7a-methyl-5-sulfanyloxy-6,7-dihydroinden-1-yl]oxy-trimethylsilane is sourced from PubChem (CID 89418240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).