ethyl 4-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethyl-4-propan-2-ylcyclobutene-1-carboxylate

C18H34O3Si — CID 140523836

IUPACethyl 4-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethyl-4-propan-2-ylcyclobutene-1-carboxylate
SMILESCCOC(=O)C1=CC(C)(C)C1(O[Si](C)(C)C(C)(C)C)C(C)C
InChIInChI=1S/C18H34O3Si/c1-11-20-15(19)14-12-17(7,8)18(14,13(2)3)21-22(9,10)16(4,5)6/h12-13H,11H2,1-10H3
InChIKeyIOYHKBDMEYCVNU-UHFFFAOYSA-N
MW326.55 g/mol
LogP4.93
Rot. Bonds5

About ethyl 4-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethyl-4-propan-2-ylcyclobutene-1-carboxylate

ethyl 4-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethyl-4-propan-2-ylcyclobutene-1-carboxylate (PubChem CID 140523836) has the molecular formula C18H34O3Si and a molecular weight of 326.55 g/mol. Its IUPAC name is ethyl 4-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethyl-4-propan-2-ylcyclobutene-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethyl-4-propan-2-ylcyclobutene-1-carboxylate
PubChem CID140523836
Molecular FormulaC18H34O3Si
Molecular Weight326.55 g/mol
Exact Mass326.23
IUPAC Nameethyl 4-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethyl-4-propan-2-ylcyclobutene-1-carboxylate
SMILESCCOC(=O)C1=CC(C)(C)C1(O[Si](C)(C)C(C)(C)C)C(C)C
InChIInChI=1S/C18H34O3Si/c1-11-20-15(19)14-12-17(7,8)18(14,13(2)3)21-22(9,10)16(4,5)6/h12-13H,11H2,1-10H3
InChIKeyIOYHKBDMEYCVNU-UHFFFAOYSA-N
XLogP4.93
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.55
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 4-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethyl-4-propan-2-ylcyclobutene-1-carboxylate?
The IUPAC name of ethyl 4-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethyl-4-propan-2-ylcyclobutene-1-carboxylate (CID 140523836) is ethyl 4-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethyl-4-propan-2-ylcyclobutene-1-carboxylate.
What is the SMILES notation for ethyl 4-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethyl-4-propan-2-ylcyclobutene-1-carboxylate?
The canonical SMILES for ethyl 4-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethyl-4-propan-2-ylcyclobutene-1-carboxylate is CCOC(=O)C1=CC(C)(C)C1(O[Si](C)(C)C(C)(C)C)C(C)C.
What is the InChIKey of ethyl 4-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethyl-4-propan-2-ylcyclobutene-1-carboxylate?
The InChIKey is IOYHKBDMEYCVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O3Si/c1-11-20-15(19)14-12-17(7,8)18(14,13(2)3)21-22(9,10)16(4,5)6/h12-13H,11H2,1-10H3.
What are the key properties of ethyl 4-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethyl-4-propan-2-ylcyclobutene-1-carboxylate?
ethyl 4-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethyl-4-propan-2-ylcyclobutene-1-carboxylate has a molecular weight of 326.55 g/mol, XLogP of 4.93, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethyl-4-propan-2-ylcyclobutene-1-carboxylate is sourced from PubChem (CID 140523836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).