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

C16H30OSi — CID 134899502

IUPAC[(1S,3aR,5S,7aR)-5-methyl-2,3,3a,4,5,7a-hexahydro-1H-inden-1-yl]oxy-tert-butyl-dimethylsilane
SMILESC[C@@H]1C=C[C@H]2[C@H](CC[C@@H]2O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C16H30OSi/c1-12-7-9-14-13(11-12)8-10-15(14)17-18(5,6)16(2,3)4/h7,9,12-15H,8,10-11H2,1-6H3/t12-,13-,14+,15+/m1/s1
InChIKeyDRLIAGRJXRUQLU-KBXIAJHMSA-N
MW266.50 g/mol
LogP5.00
Rot. Bonds2

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

[(1S,3aR,5S,7aR)-5-methyl-2,3,3a,4,5,7a-hexahydro-1H-inden-1-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 134899502) has the molecular formula C16H30OSi and a molecular weight of 266.50 g/mol. Its IUPAC name is [(1S,3aR,5S,7aR)-5-methyl-2,3,3a,4,5,7a-hexahydro-1H-inden-1-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(1S,3aR,5S,7aR)-5-methyl-2,3,3a,4,5,7a-hexahydro-1H-inden-1-yl]oxy-tert-butyl-dimethylsilane
PubChem CID134899502
Molecular FormulaC16H30OSi
Molecular Weight266.50 g/mol
Exact Mass266.21
IUPAC Name[(1S,3aR,5S,7aR)-5-methyl-2,3,3a,4,5,7a-hexahydro-1H-inden-1-yl]oxy-tert-butyl-dimethylsilane
SMILESC[C@@H]1C=C[C@H]2[C@H](CC[C@@H]2O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C16H30OSi/c1-12-7-9-14-13(11-12)8-10-15(14)17-18(5,6)16(2,3)4/h7,9,12-15H,8,10-11H2,1-6H3/t12-,13-,14+,15+/m1/s1
InChIKeyDRLIAGRJXRUQLU-KBXIAJHMSA-N
XLogP5.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.50
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(1S,3aR,5S,7aR)-5-methyl-2,3,3a,4,5,7a-hexahydro-1H-inden-1-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(1S,3aR,5S,7aR)-5-methyl-2,3,3a,4,5,7a-hexahydro-1H-inden-1-yl]oxy-tert-butyl-dimethylsilane (CID 134899502) is [(1S,3aR,5S,7aR)-5-methyl-2,3,3a,4,5,7a-hexahydro-1H-inden-1-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(1S,3aR,5S,7aR)-5-methyl-2,3,3a,4,5,7a-hexahydro-1H-inden-1-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(1S,3aR,5S,7aR)-5-methyl-2,3,3a,4,5,7a-hexahydro-1H-inden-1-yl]oxy-tert-butyl-dimethylsilane is C[C@@H]1C=C[C@H]2[C@H](CC[C@@H]2O[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of [(1S,3aR,5S,7aR)-5-methyl-2,3,3a,4,5,7a-hexahydro-1H-inden-1-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is DRLIAGRJXRUQLU-KBXIAJHMSA-N. The full InChI is InChI=1S/C16H30OSi/c1-12-7-9-14-13(11-12)8-10-15(14)17-18(5,6)16(2,3)4/h7,9,12-15H,8,10-11H2,1-6H3/t12-,13-,14+,15+/m1/s1.
What are the key properties of [(1S,3aR,5S,7aR)-5-methyl-2,3,3a,4,5,7a-hexahydro-1H-inden-1-yl]oxy-tert-butyl-dimethylsilane?
[(1S,3aR,5S,7aR)-5-methyl-2,3,3a,4,5,7a-hexahydro-1H-inden-1-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 266.50 g/mol, XLogP of 5.00, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3aR,5S,7aR)-5-methyl-2,3,3a,4,5,7a-hexahydro-1H-inden-1-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 134899502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).