ethyl 2-trimethylsilylbutanoate

C9H20O2Si — CID 15914891

IUPACethyl 2-trimethylsilylbutanoate
SMILESCCOC(=O)C(CC)[Si](C)(C)C
InChIInChI=1S/C9H20O2Si/c1-6-8(12(3,4)5)9(10)11-7-2/h8H,6-7H2,1-5H3
InChIKeyPLPZZRDHIYDOGX-UHFFFAOYSA-N
MW188.34 g/mol
LogP2.67
Rot. Bonds4

About ethyl 2-trimethylsilylbutanoate

ethyl 2-trimethylsilylbutanoate (PubChem CID 15914891) has the molecular formula C9H20O2Si and a molecular weight of 188.34 g/mol. Its IUPAC name is ethyl 2-trimethylsilylbutanoate.

Molecular Properties

Compound Nameethyl 2-trimethylsilylbutanoate
PubChem CID15914891
Molecular FormulaC9H20O2Si
Molecular Weight188.34 g/mol
Exact Mass188.12
IUPAC Nameethyl 2-trimethylsilylbutanoate
SMILESCCOC(=O)C(CC)[Si](C)(C)C
InChIInChI=1S/C9H20O2Si/c1-6-8(12(3,4)5)9(10)11-7-2/h8H,6-7H2,1-5H3
InChIKeyPLPZZRDHIYDOGX-UHFFFAOYSA-N
XLogP2.67
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.34
LogP ≤ 52.67
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 2-trimethylsilylbutanoate?
The IUPAC name of ethyl 2-trimethylsilylbutanoate (CID 15914891) is ethyl 2-trimethylsilylbutanoate.
What is the SMILES notation for ethyl 2-trimethylsilylbutanoate?
The canonical SMILES for ethyl 2-trimethylsilylbutanoate is CCOC(=O)C(CC)[Si](C)(C)C.
What is the InChIKey of ethyl 2-trimethylsilylbutanoate?
The InChIKey is PLPZZRDHIYDOGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O2Si/c1-6-8(12(3,4)5)9(10)11-7-2/h8H,6-7H2,1-5H3.
What are the key properties of ethyl 2-trimethylsilylbutanoate?
ethyl 2-trimethylsilylbutanoate has a molecular weight of 188.34 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-trimethylsilylbutanoate is sourced from PubChem (CID 15914891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).