[(7aS)-5,7a-dimethyl-6,7-dihydroinden-1-yl]oxy-tert-butyl-dimethylsilane

C17H28OSi — CID 71274039

IUPAC[(7aS)-5,7a-dimethyl-6,7-dihydroinden-1-yl]oxy-tert-butyl-dimethylsilane
SMILESCC1=CC2=CC=C(O[Si](C)(C)C(C)(C)C)[C@@]2(C)CC1
InChIInChI=1S/C17H28OSi/c1-13-10-11-17(5)14(12-13)8-9-15(17)18-19(6,7)16(2,3)4/h8-9,12H,10-11H2,1-7H3/t17-/m0/s1
InChIKeyUWGPJETWQMUSQH-KRWDZBQOSA-N
MW276.50 g/mol
LogP5.58
Rot. Bonds2

About [(7aS)-5,7a-dimethyl-6,7-dihydroinden-1-yl]oxy-tert-butyl-dimethylsilane

[(7aS)-5,7a-dimethyl-6,7-dihydroinden-1-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 71274039) has the molecular formula C17H28OSi and a molecular weight of 276.50 g/mol. Its IUPAC name is [(7aS)-5,7a-dimethyl-6,7-dihydroinden-1-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(7aS)-5,7a-dimethyl-6,7-dihydroinden-1-yl]oxy-tert-butyl-dimethylsilane
PubChem CID71274039
Molecular FormulaC17H28OSi
Molecular Weight276.50 g/mol
Exact Mass276.19
IUPAC Name[(7aS)-5,7a-dimethyl-6,7-dihydroinden-1-yl]oxy-tert-butyl-dimethylsilane
SMILESCC1=CC2=CC=C(O[Si](C)(C)C(C)(C)C)[C@@]2(C)CC1
InChIInChI=1S/C17H28OSi/c1-13-10-11-17(5)14(12-13)8-9-15(17)18-19(6,7)16(2,3)4/h8-9,12H,10-11H2,1-7H3/t17-/m0/s1
InChIKeyUWGPJETWQMUSQH-KRWDZBQOSA-N
XLogP5.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.50
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 [(7aS)-5,7a-dimethyl-6,7-dihydroinden-1-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(7aS)-5,7a-dimethyl-6,7-dihydroinden-1-yl]oxy-tert-butyl-dimethylsilane (CID 71274039) is [(7aS)-5,7a-dimethyl-6,7-dihydroinden-1-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(7aS)-5,7a-dimethyl-6,7-dihydroinden-1-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(7aS)-5,7a-dimethyl-6,7-dihydroinden-1-yl]oxy-tert-butyl-dimethylsilane is CC1=CC2=CC=C(O[Si](C)(C)C(C)(C)C)[C@@]2(C)CC1.
What is the InChIKey of [(7aS)-5,7a-dimethyl-6,7-dihydroinden-1-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is UWGPJETWQMUSQH-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H28OSi/c1-13-10-11-17(5)14(12-13)8-9-15(17)18-19(6,7)16(2,3)4/h8-9,12H,10-11H2,1-7H3/t17-/m0/s1.
What are the key properties of [(7aS)-5,7a-dimethyl-6,7-dihydroinden-1-yl]oxy-tert-butyl-dimethylsilane?
[(7aS)-5,7a-dimethyl-6,7-dihydroinden-1-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 276.50 g/mol, XLogP of 5.58, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(7aS)-5,7a-dimethyl-6,7-dihydroinden-1-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 71274039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).