2,3,5,6,7,7a-hexahydro-1H-inden-4-yloxy(triethyl)silane

C15H28OSi — CID 12749332

IUPAC2,3,5,6,7,7a-hexahydro-1H-inden-4-yloxy(triethyl)silane
SMILESCC[Si](CC)(CC)OC1=C2CCCC2CCC1
InChIInChI=1S/C15H28OSi/c1-4-17(5-2,6-3)16-15-12-8-10-13-9-7-11-14(13)15/h13H,4-12H2,1-3H3
InChIKeyYRMDQMYFJAOSLR-UHFFFAOYSA-N
MW252.47 g/mol
LogP5.25
Rot. Bonds5

About 2,3,5,6,7,7a-hexahydro-1H-inden-4-yloxy(triethyl)silane

2,3,5,6,7,7a-hexahydro-1H-inden-4-yloxy(triethyl)silane (PubChem CID 12749332) has the molecular formula C15H28OSi and a molecular weight of 252.47 g/mol. Its IUPAC name is 2,3,5,6,7,7a-hexahydro-1H-inden-4-yloxy(triethyl)silane.

Molecular Properties

Compound Name2,3,5,6,7,7a-hexahydro-1H-inden-4-yloxy(triethyl)silane
PubChem CID12749332
Molecular FormulaC15H28OSi
Molecular Weight252.47 g/mol
Exact Mass252.19
IUPAC Name2,3,5,6,7,7a-hexahydro-1H-inden-4-yloxy(triethyl)silane
SMILESCC[Si](CC)(CC)OC1=C2CCCC2CCC1
InChIInChI=1S/C15H28OSi/c1-4-17(5-2,6-3)16-15-12-8-10-13-9-7-11-14(13)15/h13H,4-12H2,1-3H3
InChIKeyYRMDQMYFJAOSLR-UHFFFAOYSA-N
XLogP5.25
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.47
LogP ≤ 55.25
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 2,3,5,6,7,7a-hexahydro-1H-inden-4-yloxy(triethyl)silane?
The IUPAC name of 2,3,5,6,7,7a-hexahydro-1H-inden-4-yloxy(triethyl)silane (CID 12749332) is 2,3,5,6,7,7a-hexahydro-1H-inden-4-yloxy(triethyl)silane.
What is the SMILES notation for 2,3,5,6,7,7a-hexahydro-1H-inden-4-yloxy(triethyl)silane?
The canonical SMILES for 2,3,5,6,7,7a-hexahydro-1H-inden-4-yloxy(triethyl)silane is CC[Si](CC)(CC)OC1=C2CCCC2CCC1.
What is the InChIKey of 2,3,5,6,7,7a-hexahydro-1H-inden-4-yloxy(triethyl)silane?
The InChIKey is YRMDQMYFJAOSLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28OSi/c1-4-17(5-2,6-3)16-15-12-8-10-13-9-7-11-14(13)15/h13H,4-12H2,1-3H3.
What are the key properties of 2,3,5,6,7,7a-hexahydro-1H-inden-4-yloxy(triethyl)silane?
2,3,5,6,7,7a-hexahydro-1H-inden-4-yloxy(triethyl)silane has a molecular weight of 252.47 g/mol, XLogP of 5.25, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6,7,7a-hexahydro-1H-inden-4-yloxy(triethyl)silane is sourced from PubChem (CID 12749332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).