4-[tert-butyl(dimethyl)silyl]oxybutyl acetate

C12H26O3Si — CID 15253868

IUPAC4-[tert-butyl(dimethyl)silyl]oxybutyl acetate
SMILESCC(=O)OCCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H26O3Si/c1-11(13)14-9-7-8-10-15-16(5,6)12(2,3)4/h7-10H2,1-6H3
InChIKeyOCJRSLIWZMGNTM-UHFFFAOYSA-N
MW246.42 g/mol
LogP3.35
Rot. Bonds6

About 4-[tert-butyl(dimethyl)silyl]oxybutyl acetate

4-[tert-butyl(dimethyl)silyl]oxybutyl acetate (PubChem CID 15253868) has the molecular formula C12H26O3Si and a molecular weight of 246.42 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxybutyl acetate.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]oxybutyl acetate
PubChem CID15253868
Molecular FormulaC12H26O3Si
Molecular Weight246.42 g/mol
Exact Mass246.17
IUPAC Name4-[tert-butyl(dimethyl)silyl]oxybutyl acetate
SMILESCC(=O)OCCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H26O3Si/c1-11(13)14-9-7-8-10-15-16(5,6)12(2,3)4/h7-10H2,1-6H3
InChIKeyOCJRSLIWZMGNTM-UHFFFAOYSA-N
XLogP3.35
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.42
LogP ≤ 53.35
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 4-[tert-butyl(dimethyl)silyl]oxybutyl acetate?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxybutyl acetate (CID 15253868) is 4-[tert-butyl(dimethyl)silyl]oxybutyl acetate.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxybutyl acetate?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxybutyl acetate is CC(=O)OCCCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxybutyl acetate?
The InChIKey is OCJRSLIWZMGNTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O3Si/c1-11(13)14-9-7-8-10-15-16(5,6)12(2,3)4/h7-10H2,1-6H3.
What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxybutyl acetate?
4-[tert-butyl(dimethyl)silyl]oxybutyl acetate has a molecular weight of 246.42 g/mol, XLogP of 3.35, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tert-butyl(dimethyl)silyl]oxybutyl acetate is sourced from PubChem (CID 15253868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).