[tert-butyl(dimethyl)silyl] pentanoate

C11H24O2Si — CID 528100

IUPAC[tert-butyl(dimethyl)silyl] pentanoate
SMILESCCCCC(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H24O2Si/c1-7-8-9-10(12)13-14(5,6)11(2,3)4/h7-9H2,1-6H3
InChIKeyNZFSRCPLEXEGDZ-UHFFFAOYSA-N
MW216.40 g/mol
LogP3.72
Rot. Bonds4

About [tert-butyl(dimethyl)silyl] pentanoate

[tert-butyl(dimethyl)silyl] pentanoate (PubChem CID 528100) has the molecular formula C11H24O2Si and a molecular weight of 216.40 g/mol. Its IUPAC name is [tert-butyl(dimethyl)silyl] pentanoate.

Molecular Properties

Compound Name[tert-butyl(dimethyl)silyl] pentanoate
PubChem CID528100
Molecular FormulaC11H24O2Si
Molecular Weight216.40 g/mol
Exact Mass216.15
IUPAC Name[tert-butyl(dimethyl)silyl] pentanoate
SMILESCCCCC(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H24O2Si/c1-7-8-9-10(12)13-14(5,6)11(2,3)4/h7-9H2,1-6H3
InChIKeyNZFSRCPLEXEGDZ-UHFFFAOYSA-N
XLogP3.72
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.40
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 [tert-butyl(dimethyl)silyl] pentanoate?
The IUPAC name of [tert-butyl(dimethyl)silyl] pentanoate (CID 528100) is [tert-butyl(dimethyl)silyl] pentanoate.
What is the SMILES notation for [tert-butyl(dimethyl)silyl] pentanoate?
The canonical SMILES for [tert-butyl(dimethyl)silyl] pentanoate is CCCCC(=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [tert-butyl(dimethyl)silyl] pentanoate?
The InChIKey is NZFSRCPLEXEGDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O2Si/c1-7-8-9-10(12)13-14(5,6)11(2,3)4/h7-9H2,1-6H3.
What are the key properties of [tert-butyl(dimethyl)silyl] pentanoate?
[tert-butyl(dimethyl)silyl] pentanoate has a molecular weight of 216.40 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [tert-butyl(dimethyl)silyl] pentanoate is sourced from PubChem (CID 528100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).