tert-butyl 5-[tert-butyl(dimethyl)silyl]-3-oxopent-4-ynoate

C15H26O3Si — CID 14591153

IUPACtert-butyl 5-[tert-butyl(dimethyl)silyl]-3-oxopent-4-ynoate
SMILESCC(C)(C)OC(=O)CC(=O)C#C[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H26O3Si/c1-14(2,3)18-13(17)11-12(16)9-10-19(7,8)15(4,5)6/h11H2,1-8H3
InChIKeySGABIOQKLDAZDW-UHFFFAOYSA-N
MW282.46 g/mol
LogP3.34
Rot. Bonds2

About tert-butyl 5-[tert-butyl(dimethyl)silyl]-3-oxopent-4-ynoate

tert-butyl 5-[tert-butyl(dimethyl)silyl]-3-oxopent-4-ynoate (PubChem CID 14591153) has the molecular formula C15H26O3Si and a molecular weight of 282.46 g/mol. Its IUPAC name is tert-butyl 5-[tert-butyl(dimethyl)silyl]-3-oxopent-4-ynoate.

Molecular Properties

Compound Nametert-butyl 5-[tert-butyl(dimethyl)silyl]-3-oxopent-4-ynoate
PubChem CID14591153
Molecular FormulaC15H26O3Si
Molecular Weight282.46 g/mol
Exact Mass282.17
IUPAC Nametert-butyl 5-[tert-butyl(dimethyl)silyl]-3-oxopent-4-ynoate
SMILESCC(C)(C)OC(=O)CC(=O)C#C[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H26O3Si/c1-14(2,3)18-13(17)11-12(16)9-10-19(7,8)15(4,5)6/h11H2,1-8H3
InChIKeySGABIOQKLDAZDW-UHFFFAOYSA-N
XLogP3.34
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.46
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-[tert-butyl(dimethyl)silyl]-3-oxopent-4-ynoate?
The IUPAC name of tert-butyl 5-[tert-butyl(dimethyl)silyl]-3-oxopent-4-ynoate (CID 14591153) is tert-butyl 5-[tert-butyl(dimethyl)silyl]-3-oxopent-4-ynoate.
What is the SMILES notation for tert-butyl 5-[tert-butyl(dimethyl)silyl]-3-oxopent-4-ynoate?
The canonical SMILES for tert-butyl 5-[tert-butyl(dimethyl)silyl]-3-oxopent-4-ynoate is CC(C)(C)OC(=O)CC(=O)C#C[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl 5-[tert-butyl(dimethyl)silyl]-3-oxopent-4-ynoate?
The InChIKey is SGABIOQKLDAZDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O3Si/c1-14(2,3)18-13(17)11-12(16)9-10-19(7,8)15(4,5)6/h11H2,1-8H3.
What are the key properties of tert-butyl 5-[tert-butyl(dimethyl)silyl]-3-oxopent-4-ynoate?
tert-butyl 5-[tert-butyl(dimethyl)silyl]-3-oxopent-4-ynoate has a molecular weight of 282.46 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-[tert-butyl(dimethyl)silyl]-3-oxopent-4-ynoate is sourced from PubChem (CID 14591153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).