ethyl 5-[tert-butyl(dimethyl)silyl]oxy-2-methylidenepentanoate

C14H28O3Si — CID 56926410

IUPACethyl 5-[tert-butyl(dimethyl)silyl]oxy-2-methylidenepentanoate
SMILESC=C(CCCO[Si](C)(C)C(C)(C)C)C(=O)OCC
InChIInChI=1S/C14H28O3Si/c1-8-16-13(15)12(2)10-9-11-17-18(6,7)14(3,4)5/h2,8-11H2,1,3-7H3
InChIKeyUUPTVYUKUKKOLZ-UHFFFAOYSA-N
MW272.46 g/mol
LogP3.91
Rot. Bonds7

About ethyl 5-[tert-butyl(dimethyl)silyl]oxy-2-methylidenepentanoate

ethyl 5-[tert-butyl(dimethyl)silyl]oxy-2-methylidenepentanoate (PubChem CID 56926410) has the molecular formula C14H28O3Si and a molecular weight of 272.46 g/mol. Its IUPAC name is ethyl 5-[tert-butyl(dimethyl)silyl]oxy-2-methylidenepentanoate.

Molecular Properties

Compound Nameethyl 5-[tert-butyl(dimethyl)silyl]oxy-2-methylidenepentanoate
PubChem CID56926410
Molecular FormulaC14H28O3Si
Molecular Weight272.46 g/mol
Exact Mass272.18
IUPAC Nameethyl 5-[tert-butyl(dimethyl)silyl]oxy-2-methylidenepentanoate
SMILESC=C(CCCO[Si](C)(C)C(C)(C)C)C(=O)OCC
InChIInChI=1S/C14H28O3Si/c1-8-16-13(15)12(2)10-9-11-17-18(6,7)14(3,4)5/h2,8-11H2,1,3-7H3
InChIKeyUUPTVYUKUKKOLZ-UHFFFAOYSA-N
XLogP3.91
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.46
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[tert-butyl(dimethyl)silyl]oxy-2-methylidenepentanoate?
The IUPAC name of ethyl 5-[tert-butyl(dimethyl)silyl]oxy-2-methylidenepentanoate (CID 56926410) is ethyl 5-[tert-butyl(dimethyl)silyl]oxy-2-methylidenepentanoate.
What is the SMILES notation for ethyl 5-[tert-butyl(dimethyl)silyl]oxy-2-methylidenepentanoate?
The canonical SMILES for ethyl 5-[tert-butyl(dimethyl)silyl]oxy-2-methylidenepentanoate is C=C(CCCO[Si](C)(C)C(C)(C)C)C(=O)OCC.
What is the InChIKey of ethyl 5-[tert-butyl(dimethyl)silyl]oxy-2-methylidenepentanoate?
The InChIKey is UUPTVYUKUKKOLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O3Si/c1-8-16-13(15)12(2)10-9-11-17-18(6,7)14(3,4)5/h2,8-11H2,1,3-7H3.
What are the key properties of ethyl 5-[tert-butyl(dimethyl)silyl]oxy-2-methylidenepentanoate?
ethyl 5-[tert-butyl(dimethyl)silyl]oxy-2-methylidenepentanoate has a molecular weight of 272.46 g/mol, XLogP of 3.91, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[tert-butyl(dimethyl)silyl]oxy-2-methylidenepentanoate is sourced from PubChem (CID 56926410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).