8-[tert-butyl(dimethyl)silyl]oxyoctyl acetate

C16H34O3Si — CID 11771105

IUPAC8-[tert-butyl(dimethyl)silyl]oxyoctyl acetate
SMILESCC(=O)OCCCCCCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H34O3Si/c1-15(17)18-13-11-9-7-8-10-12-14-19-20(5,6)16(2,3)4/h7-14H2,1-6H3
InChIKeyKJYSZRXSQKTYBK-UHFFFAOYSA-N
MW302.53 g/mol
LogP4.91
Rot. Bonds10

About 8-[tert-butyl(dimethyl)silyl]oxyoctyl acetate

8-[tert-butyl(dimethyl)silyl]oxyoctyl acetate (PubChem CID 11771105) has the molecular formula C16H34O3Si and a molecular weight of 302.53 g/mol. Its IUPAC name is 8-[tert-butyl(dimethyl)silyl]oxyoctyl acetate.

Molecular Properties

Compound Name8-[tert-butyl(dimethyl)silyl]oxyoctyl acetate
PubChem CID11771105
Molecular FormulaC16H34O3Si
Molecular Weight302.53 g/mol
Exact Mass302.23
IUPAC Name8-[tert-butyl(dimethyl)silyl]oxyoctyl acetate
SMILESCC(=O)OCCCCCCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H34O3Si/c1-15(17)18-13-11-9-7-8-10-12-14-19-20(5,6)16(2,3)4/h7-14H2,1-6H3
InChIKeyKJYSZRXSQKTYBK-UHFFFAOYSA-N
XLogP4.91
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.53
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-[tert-butyl(dimethyl)silyl]oxyoctyl acetate?
The IUPAC name of 8-[tert-butyl(dimethyl)silyl]oxyoctyl acetate (CID 11771105) is 8-[tert-butyl(dimethyl)silyl]oxyoctyl acetate.
What is the SMILES notation for 8-[tert-butyl(dimethyl)silyl]oxyoctyl acetate?
The canonical SMILES for 8-[tert-butyl(dimethyl)silyl]oxyoctyl acetate is CC(=O)OCCCCCCCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 8-[tert-butyl(dimethyl)silyl]oxyoctyl acetate?
The InChIKey is KJYSZRXSQKTYBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O3Si/c1-15(17)18-13-11-9-7-8-10-12-14-19-20(5,6)16(2,3)4/h7-14H2,1-6H3.
What are the key properties of 8-[tert-butyl(dimethyl)silyl]oxyoctyl acetate?
8-[tert-butyl(dimethyl)silyl]oxyoctyl acetate has a molecular weight of 302.53 g/mol, XLogP of 4.91, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[tert-butyl(dimethyl)silyl]oxyoctyl acetate is sourced from PubChem (CID 11771105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).