[(1S,3aR,7aS)-2,3,3a,4,5,7a-hexahydro-1H-inden-1-yl]oxy-triethylsilane

C15H28OSi — CID 101243614

IUPAC[(1S,3aR,7aS)-2,3,3a,4,5,7a-hexahydro-1H-inden-1-yl]oxy-triethylsilane
SMILESCC[Si](CC)(CC)O[C@H]1CC[C@H]2CCC=C[C@H]21
InChIInChI=1S/C15H28OSi/c1-4-17(5-2,6-3)16-15-12-11-13-9-7-8-10-14(13)15/h8,10,13-15H,4-7,9,11-12H2,1-3H3/t13-,14-,15+/m1/s1
InChIKeyNLQOBBCIWLIYMB-KFWWJZLASA-N
MW252.47 g/mol
LogP4.75
Rot. Bonds5

About [(1S,3aR,7aS)-2,3,3a,4,5,7a-hexahydro-1H-inden-1-yl]oxy-triethylsilane

[(1S,3aR,7aS)-2,3,3a,4,5,7a-hexahydro-1H-inden-1-yl]oxy-triethylsilane (PubChem CID 101243614) has the molecular formula C15H28OSi and a molecular weight of 252.47 g/mol. Its IUPAC name is [(1S,3aR,7aS)-2,3,3a,4,5,7a-hexahydro-1H-inden-1-yl]oxy-triethylsilane.

Molecular Properties

Compound Name[(1S,3aR,7aS)-2,3,3a,4,5,7a-hexahydro-1H-inden-1-yl]oxy-triethylsilane
PubChem CID101243614
Molecular FormulaC15H28OSi
Molecular Weight252.47 g/mol
Exact Mass252.19
IUPAC Name[(1S,3aR,7aS)-2,3,3a,4,5,7a-hexahydro-1H-inden-1-yl]oxy-triethylsilane
SMILESCC[Si](CC)(CC)O[C@H]1CC[C@H]2CCC=C[C@H]21
InChIInChI=1S/C15H28OSi/c1-4-17(5-2,6-3)16-15-12-11-13-9-7-8-10-14(13)15/h8,10,13-15H,4-7,9,11-12H2,1-3H3/t13-,14-,15+/m1/s1
InChIKeyNLQOBBCIWLIYMB-KFWWJZLASA-N
XLogP4.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.47
LogP ≤ 54.75
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,7aS)-2,3,3a,4,5,7a-hexahydro-1H-inden-1-yl]oxy-triethylsilane?
The IUPAC name of [(1S,3aR,7aS)-2,3,3a,4,5,7a-hexahydro-1H-inden-1-yl]oxy-triethylsilane (CID 101243614) is [(1S,3aR,7aS)-2,3,3a,4,5,7a-hexahydro-1H-inden-1-yl]oxy-triethylsilane.
What is the SMILES notation for [(1S,3aR,7aS)-2,3,3a,4,5,7a-hexahydro-1H-inden-1-yl]oxy-triethylsilane?
The canonical SMILES for [(1S,3aR,7aS)-2,3,3a,4,5,7a-hexahydro-1H-inden-1-yl]oxy-triethylsilane is CC[Si](CC)(CC)O[C@H]1CC[C@H]2CCC=C[C@H]21.
What is the InChIKey of [(1S,3aR,7aS)-2,3,3a,4,5,7a-hexahydro-1H-inden-1-yl]oxy-triethylsilane?
The InChIKey is NLQOBBCIWLIYMB-KFWWJZLASA-N. The full InChI is InChI=1S/C15H28OSi/c1-4-17(5-2,6-3)16-15-12-11-13-9-7-8-10-14(13)15/h8,10,13-15H,4-7,9,11-12H2,1-3H3/t13-,14-,15+/m1/s1.
What are the key properties of [(1S,3aR,7aS)-2,3,3a,4,5,7a-hexahydro-1H-inden-1-yl]oxy-triethylsilane?
[(1S,3aR,7aS)-2,3,3a,4,5,7a-hexahydro-1H-inden-1-yl]oxy-triethylsilane has a molecular weight of 252.47 g/mol, XLogP of 4.75, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3aR,7aS)-2,3,3a,4,5,7a-hexahydro-1H-inden-1-yl]oxy-triethylsilane is sourced from PubChem (CID 101243614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).