ethyl 2-(trimethylsilylmethyl)butanoate

C10H22O2Si — CID 56981304

IUPACethyl 2-(trimethylsilylmethyl)butanoate
SMILESCCOC(=O)C(CC)C[Si](C)(C)C
InChIInChI=1S/C10H22O2Si/c1-6-9(8-13(3,4)5)10(11)12-7-2/h9H,6-8H2,1-5H3
InChIKeyPTRWRAOEOKHCRD-UHFFFAOYSA-N
MW202.37 g/mol
LogP2.91
Rot. Bonds5

About ethyl 2-(trimethylsilylmethyl)butanoate

ethyl 2-(trimethylsilylmethyl)butanoate (PubChem CID 56981304) has the molecular formula C10H22O2Si and a molecular weight of 202.37 g/mol. Its IUPAC name is ethyl 2-(trimethylsilylmethyl)butanoate.

Molecular Properties

Compound Nameethyl 2-(trimethylsilylmethyl)butanoate
PubChem CID56981304
Molecular FormulaC10H22O2Si
Molecular Weight202.37 g/mol
Exact Mass202.14
IUPAC Nameethyl 2-(trimethylsilylmethyl)butanoate
SMILESCCOC(=O)C(CC)C[Si](C)(C)C
InChIInChI=1S/C10H22O2Si/c1-6-9(8-13(3,4)5)10(11)12-7-2/h9H,6-8H2,1-5H3
InChIKeyPTRWRAOEOKHCRD-UHFFFAOYSA-N
XLogP2.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.37
LogP ≤ 52.91
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-(trimethylsilylmethyl)butanoate?
The IUPAC name of ethyl 2-(trimethylsilylmethyl)butanoate (CID 56981304) is ethyl 2-(trimethylsilylmethyl)butanoate.
What is the SMILES notation for ethyl 2-(trimethylsilylmethyl)butanoate?
The canonical SMILES for ethyl 2-(trimethylsilylmethyl)butanoate is CCOC(=O)C(CC)C[Si](C)(C)C.
What is the InChIKey of ethyl 2-(trimethylsilylmethyl)butanoate?
The InChIKey is PTRWRAOEOKHCRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O2Si/c1-6-9(8-13(3,4)5)10(11)12-7-2/h9H,6-8H2,1-5H3.
What are the key properties of ethyl 2-(trimethylsilylmethyl)butanoate?
ethyl 2-(trimethylsilylmethyl)butanoate has a molecular weight of 202.37 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(trimethylsilylmethyl)butanoate is sourced from PubChem (CID 56981304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).