[ethyl(dimethyl)silyl] pentanoate

C9H20O2Si — CID 554763

IUPAC[ethyl(dimethyl)silyl] pentanoate
SMILESCCCCC(=O)O[Si](C)(C)CC
InChIInChI=1S/C9H20O2Si/c1-5-7-8-9(10)11-12(3,4)6-2/h5-8H2,1-4H3
InChIKeyHNLDMHZEFQHZAI-UHFFFAOYSA-N
MW188.34 g/mol
LogP2.94
Rot. Bonds5

About [ethyl(dimethyl)silyl] pentanoate

[ethyl(dimethyl)silyl] pentanoate (PubChem CID 554763) has the molecular formula C9H20O2Si and a molecular weight of 188.34 g/mol. Its IUPAC name is [ethyl(dimethyl)silyl] pentanoate.

Molecular Properties

Compound Name[ethyl(dimethyl)silyl] pentanoate
PubChem CID554763
Molecular FormulaC9H20O2Si
Molecular Weight188.34 g/mol
Exact Mass188.12
IUPAC Name[ethyl(dimethyl)silyl] pentanoate
SMILESCCCCC(=O)O[Si](C)(C)CC
InChIInChI=1S/C9H20O2Si/c1-5-7-8-9(10)11-12(3,4)6-2/h5-8H2,1-4H3
InChIKeyHNLDMHZEFQHZAI-UHFFFAOYSA-N
XLogP2.94
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.34
LogP ≤ 52.94
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 [ethyl(dimethyl)silyl] pentanoate?
The IUPAC name of [ethyl(dimethyl)silyl] pentanoate (CID 554763) is [ethyl(dimethyl)silyl] pentanoate.
What is the SMILES notation for [ethyl(dimethyl)silyl] pentanoate?
The canonical SMILES for [ethyl(dimethyl)silyl] pentanoate is CCCCC(=O)O[Si](C)(C)CC.
What is the InChIKey of [ethyl(dimethyl)silyl] pentanoate?
The InChIKey is HNLDMHZEFQHZAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O2Si/c1-5-7-8-9(10)11-12(3,4)6-2/h5-8H2,1-4H3.
What are the key properties of [ethyl(dimethyl)silyl] pentanoate?
[ethyl(dimethyl)silyl] pentanoate has a molecular weight of 188.34 g/mol, XLogP of 2.94, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [ethyl(dimethyl)silyl] pentanoate is sourced from PubChem (CID 554763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).