[(3aR,4S,7aR)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-tert-butyl-dimethylsilane

C16H32OSi — CID 57257483

IUPAC[(3aR,4S,7aR)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CCC[C@@]2(C)CCC[C@@H]12
InChIInChI=1S/C16H32OSi/c1-15(2,3)18(5,6)17-14-10-8-12-16(4)11-7-9-13(14)16/h13-14H,7-12H2,1-6H3/t13-,14-,16+/m0/s1
InChIKeyGAPKPVKZRDFVNG-OFQRWUPVSA-N
MW268.52 g/mol
LogP5.37
Rot. Bonds2

About [(3aR,4S,7aR)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-tert-butyl-dimethylsilane

[(3aR,4S,7aR)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 57257483) has the molecular formula C16H32OSi and a molecular weight of 268.52 g/mol. Its IUPAC name is [(3aR,4S,7aR)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(3aR,4S,7aR)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-tert-butyl-dimethylsilane
PubChem CID57257483
Molecular FormulaC16H32OSi
Molecular Weight268.52 g/mol
Exact Mass268.22
IUPAC Name[(3aR,4S,7aR)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CCC[C@@]2(C)CCC[C@@H]12
InChIInChI=1S/C16H32OSi/c1-15(2,3)18(5,6)17-14-10-8-12-16(4)11-7-9-13(14)16/h13-14H,7-12H2,1-6H3/t13-,14-,16+/m0/s1
InChIKeyGAPKPVKZRDFVNG-OFQRWUPVSA-N
XLogP5.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.52
LogP ≤ 55.37
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 [(3aR,4S,7aR)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(3aR,4S,7aR)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-tert-butyl-dimethylsilane (CID 57257483) is [(3aR,4S,7aR)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(3aR,4S,7aR)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(3aR,4S,7aR)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)O[C@H]1CCC[C@@]2(C)CCC[C@@H]12.
What is the InChIKey of [(3aR,4S,7aR)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is GAPKPVKZRDFVNG-OFQRWUPVSA-N. The full InChI is InChI=1S/C16H32OSi/c1-15(2,3)18(5,6)17-14-10-8-12-16(4)11-7-9-13(14)16/h13-14H,7-12H2,1-6H3/t13-,14-,16+/m0/s1.
What are the key properties of [(3aR,4S,7aR)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-tert-butyl-dimethylsilane?
[(3aR,4S,7aR)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 268.52 g/mol, XLogP of 5.37, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,4S,7aR)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 57257483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).