ethyl 2-[tert-butyl(dimethyl)silyl]pentanoate

C13H28O2Si — CID 15914896

IUPACethyl 2-[tert-butyl(dimethyl)silyl]pentanoate
SMILESCCCC(C(=O)OCC)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H28O2Si/c1-8-10-11(12(14)15-9-2)16(6,7)13(3,4)5/h11H,8-10H2,1-7H3
InChIKeyMVADHLLYEVQLIE-UHFFFAOYSA-N
MW244.45 g/mol
LogP4.23
Rot. Bonds5

About ethyl 2-[tert-butyl(dimethyl)silyl]pentanoate

ethyl 2-[tert-butyl(dimethyl)silyl]pentanoate (PubChem CID 15914896) has the molecular formula C13H28O2Si and a molecular weight of 244.45 g/mol. Its IUPAC name is ethyl 2-[tert-butyl(dimethyl)silyl]pentanoate.

Molecular Properties

Compound Nameethyl 2-[tert-butyl(dimethyl)silyl]pentanoate
PubChem CID15914896
Molecular FormulaC13H28O2Si
Molecular Weight244.45 g/mol
Exact Mass244.19
IUPAC Nameethyl 2-[tert-butyl(dimethyl)silyl]pentanoate
SMILESCCCC(C(=O)OCC)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H28O2Si/c1-8-10-11(12(14)15-9-2)16(6,7)13(3,4)5/h11H,8-10H2,1-7H3
InChIKeyMVADHLLYEVQLIE-UHFFFAOYSA-N
XLogP4.23
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.45
LogP ≤ 54.23
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-[tert-butyl(dimethyl)silyl]pentanoate?
The IUPAC name of ethyl 2-[tert-butyl(dimethyl)silyl]pentanoate (CID 15914896) is ethyl 2-[tert-butyl(dimethyl)silyl]pentanoate.
What is the SMILES notation for ethyl 2-[tert-butyl(dimethyl)silyl]pentanoate?
The canonical SMILES for ethyl 2-[tert-butyl(dimethyl)silyl]pentanoate is CCCC(C(=O)OCC)[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl 2-[tert-butyl(dimethyl)silyl]pentanoate?
The InChIKey is MVADHLLYEVQLIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O2Si/c1-8-10-11(12(14)15-9-2)16(6,7)13(3,4)5/h11H,8-10H2,1-7H3.
What are the key properties of ethyl 2-[tert-butyl(dimethyl)silyl]pentanoate?
ethyl 2-[tert-butyl(dimethyl)silyl]pentanoate has a molecular weight of 244.45 g/mol, XLogP of 4.23, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[tert-butyl(dimethyl)silyl]pentanoate is sourced from PubChem (CID 15914896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).