[tert-butyl(dimethyl)silyl] hexanoate

C12H26O2Si — CID 528099

IUPAC[tert-butyl(dimethyl)silyl] hexanoate
SMILESCCCCCC(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H26O2Si/c1-7-8-9-10-11(13)14-15(5,6)12(2,3)4/h7-10H2,1-6H3
InChIKeySSUYOKULCCIOEK-UHFFFAOYSA-N
MW230.42 g/mol
LogP4.12
Rot. Bonds5

About [tert-butyl(dimethyl)silyl] hexanoate

[tert-butyl(dimethyl)silyl] hexanoate (PubChem CID 528099) has the molecular formula C12H26O2Si and a molecular weight of 230.42 g/mol. Its IUPAC name is [tert-butyl(dimethyl)silyl] hexanoate.

Molecular Properties

Compound Name[tert-butyl(dimethyl)silyl] hexanoate
PubChem CID528099
Molecular FormulaC12H26O2Si
Molecular Weight230.42 g/mol
Exact Mass230.17
IUPAC Name[tert-butyl(dimethyl)silyl] hexanoate
SMILESCCCCCC(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H26O2Si/c1-7-8-9-10-11(13)14-15(5,6)12(2,3)4/h7-10H2,1-6H3
InChIKeySSUYOKULCCIOEK-UHFFFAOYSA-N
XLogP4.12
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.42
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 [tert-butyl(dimethyl)silyl] hexanoate?
The IUPAC name of [tert-butyl(dimethyl)silyl] hexanoate (CID 528099) is [tert-butyl(dimethyl)silyl] hexanoate.
What is the SMILES notation for [tert-butyl(dimethyl)silyl] hexanoate?
The canonical SMILES for [tert-butyl(dimethyl)silyl] hexanoate is CCCCCC(=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [tert-butyl(dimethyl)silyl] hexanoate?
The InChIKey is SSUYOKULCCIOEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O2Si/c1-7-8-9-10-11(13)14-15(5,6)12(2,3)4/h7-10H2,1-6H3.
What are the key properties of [tert-butyl(dimethyl)silyl] hexanoate?
[tert-butyl(dimethyl)silyl] hexanoate has a molecular weight of 230.42 g/mol, XLogP of 4.12, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [tert-butyl(dimethyl)silyl] hexanoate is sourced from PubChem (CID 528099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).