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

C15H28OSi — CID 70880476

IUPAC3a,4,5,6,7,7a-hexahydro-3H-inden-4-yloxy(triethyl)silane
SMILESCC[Si](CC)(CC)OC1CCCC2C=CCC21
InChIInChI=1S/C15H28OSi/c1-4-17(5-2,6-3)16-15-12-8-10-13-9-7-11-14(13)15/h7,9,13-15H,4-6,8,10-12H2,1-3H3
InChIKeyBBSAXAFEHHOBAW-UHFFFAOYSA-N
MW252.47 g/mol
LogP4.75
Rot. Bonds5

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

3a,4,5,6,7,7a-hexahydro-3H-inden-4-yloxy(triethyl)silane (PubChem CID 70880476) has the molecular formula C15H28OSi and a molecular weight of 252.47 g/mol. Its IUPAC name is 3a,4,5,6,7,7a-hexahydro-3H-inden-4-yloxy(triethyl)silane.

Molecular Properties

Compound Name3a,4,5,6,7,7a-hexahydro-3H-inden-4-yloxy(triethyl)silane
PubChem CID70880476
Molecular FormulaC15H28OSi
Molecular Weight252.47 g/mol
Exact Mass252.19
IUPAC Name3a,4,5,6,7,7a-hexahydro-3H-inden-4-yloxy(triethyl)silane
SMILESCC[Si](CC)(CC)OC1CCCC2C=CCC21
InChIInChI=1S/C15H28OSi/c1-4-17(5-2,6-3)16-15-12-8-10-13-9-7-11-14(13)15/h7,9,13-15H,4-6,8,10-12H2,1-3H3
InChIKeyBBSAXAFEHHOBAW-UHFFFAOYSA-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 3a,4,5,6,7,7a-hexahydro-3H-inden-4-yloxy(triethyl)silane?
The IUPAC name of 3a,4,5,6,7,7a-hexahydro-3H-inden-4-yloxy(triethyl)silane (CID 70880476) is 3a,4,5,6,7,7a-hexahydro-3H-inden-4-yloxy(triethyl)silane.
What is the SMILES notation for 3a,4,5,6,7,7a-hexahydro-3H-inden-4-yloxy(triethyl)silane?
The canonical SMILES for 3a,4,5,6,7,7a-hexahydro-3H-inden-4-yloxy(triethyl)silane is CC[Si](CC)(CC)OC1CCCC2C=CCC21.
What is the InChIKey of 3a,4,5,6,7,7a-hexahydro-3H-inden-4-yloxy(triethyl)silane?
The InChIKey is BBSAXAFEHHOBAW-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/h7,9,13-15H,4-6,8,10-12H2,1-3H3.
What are the key properties of 3a,4,5,6,7,7a-hexahydro-3H-inden-4-yloxy(triethyl)silane?
3a,4,5,6,7,7a-hexahydro-3H-inden-4-yloxy(triethyl)silane 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 3a,4,5,6,7,7a-hexahydro-3H-inden-4-yloxy(triethyl)silane is sourced from PubChem (CID 70880476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).