ethyl 4-dimethylsilylbutanoate

C8H18O2Si — CID 154502277

IUPACethyl 4-dimethylsilylbutanoate
SMILESCCOC(=O)CCC[SiH](C)C
InChIInChI=1S/C8H18O2Si/c1-4-10-8(9)6-5-7-11(2)3/h11H,4-7H2,1-3H3
InChIKeyAKSGIFZZBBVHOH-UHFFFAOYSA-N
MW174.32 g/mol
LogP1.82
Rot. Bonds5

About ethyl 4-dimethylsilylbutanoate

ethyl 4-dimethylsilylbutanoate (PubChem CID 154502277) has the molecular formula C8H18O2Si and a molecular weight of 174.32 g/mol. Its IUPAC name is ethyl 4-dimethylsilylbutanoate.

Molecular Properties

Compound Nameethyl 4-dimethylsilylbutanoate
PubChem CID154502277
Molecular FormulaC8H18O2Si
Molecular Weight174.32 g/mol
Exact Mass174.11
IUPAC Nameethyl 4-dimethylsilylbutanoate
SMILESCCOC(=O)CCC[SiH](C)C
InChIInChI=1S/C8H18O2Si/c1-4-10-8(9)6-5-7-11(2)3/h11H,4-7H2,1-3H3
InChIKeyAKSGIFZZBBVHOH-UHFFFAOYSA-N
XLogP1.82
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.32
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-dimethylsilylbutanoate?
The IUPAC name of ethyl 4-dimethylsilylbutanoate (CID 154502277) is ethyl 4-dimethylsilylbutanoate.
What is the SMILES notation for ethyl 4-dimethylsilylbutanoate?
The canonical SMILES for ethyl 4-dimethylsilylbutanoate is CCOC(=O)CCC[SiH](C)C.
What is the InChIKey of ethyl 4-dimethylsilylbutanoate?
The InChIKey is AKSGIFZZBBVHOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O2Si/c1-4-10-8(9)6-5-7-11(2)3/h11H,4-7H2,1-3H3.
What are the key properties of ethyl 4-dimethylsilylbutanoate?
ethyl 4-dimethylsilylbutanoate has a molecular weight of 174.32 g/mol, XLogP of 1.82, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-dimethylsilylbutanoate is sourced from PubChem (CID 154502277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).