3-[tert-butyl(dimethyl)silyl]oxycyclobutane-1-carboxamide;ethyl 3-[tert-butyl(dimethyl)silyl]oxycyclobutane-1-carboxylate

C24H49NO5Si2 — CID 158231252

IUPAC3-[tert-butyl(dimethyl)silyl]oxycyclobutane-1-carboxamide;ethyl 3-[tert-butyl(dimethyl)silyl]oxycyclobutane-1-carboxylate
SMILESCC(C)(C)[Si](C)(C)OC1CC(C(N)=O)C1.CCOC(=O)C1CC(O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C13H26O3Si.C11H23NO2Si/c1-7-15-12(14)10-8-11(9-10)16-17(5,6)13(2,3)4;1-11(2,3)15(4,5)14-9-6-8(7-9)10(12)13/h10-11H,7-9H2,1-6H3;8-9H,6-7H2,1-5H3,(H2,12,13)
InChIKeyGEKHFHINUPTDRG-UHFFFAOYSA-N
MW487.83 g/mol
LogP5.62
Rot. Bonds7

About 3-[tert-butyl(dimethyl)silyl]oxycyclobutane-1-carboxamide;ethyl 3-[tert-butyl(dimethyl)silyl]oxycyclobutane-1-carboxylate

3-[tert-butyl(dimethyl)silyl]oxycyclobutane-1-carboxamide;ethyl 3-[tert-butyl(dimethyl)silyl]oxycyclobutane-1-carboxylate (PubChem CID 158231252) has the molecular formula C24H49NO5Si2 and a molecular weight of 487.83 g/mol. Its IUPAC name is 3-[tert-butyl(dimethyl)silyl]oxycyclobutane-1-carboxamide;ethyl 3-[tert-butyl(dimethyl)silyl]oxycyclobutane-1-carboxylate.

Molecular Properties

Compound Name3-[tert-butyl(dimethyl)silyl]oxycyclobutane-1-carboxamide;ethyl 3-[tert-butyl(dimethyl)silyl]oxycyclobutane-1-carboxylate
PubChem CID158231252
Molecular FormulaC24H49NO5Si2
Molecular Weight487.83 g/mol
Exact Mass487.31
IUPAC Name3-[tert-butyl(dimethyl)silyl]oxycyclobutane-1-carboxamide;ethyl 3-[tert-butyl(dimethyl)silyl]oxycyclobutane-1-carboxylate
SMILESCC(C)(C)[Si](C)(C)OC1CC(C(N)=O)C1.CCOC(=O)C1CC(O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C13H26O3Si.C11H23NO2Si/c1-7-15-12(14)10-8-11(9-10)16-17(5,6)13(2,3)4;1-11(2,3)15(4,5)14-9-6-8(7-9)10(12)13/h10-11H,7-9H2,1-6H3;8-9H,6-7H2,1-5H3,(H2,12,13)
InChIKeyGEKHFHINUPTDRG-UHFFFAOYSA-N
XLogP5.62
TPSA87.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.83
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-[tert-butyl(dimethyl)silyl]oxycyclopentane-1-carboxylate
CID 141450623
(4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethoxycarbonylcyclopentane-1-carboxylic acid
CID 91256092
cis-ethyl (1R,2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)cyclopentane-1-carboxylate
CID 59619451
ethyl 2-[(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]acetate
CID 10828109
ethyl 4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxycyclohexane-1-carboxylate
CID 157320752
[3-[tert-butyl(dimethyl)silyl]oxycyclobutyl]methanol
CID 66698189
ethyl (2S,4R)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-2-carboxylate
CID 23248578
ethyl 3-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]prop-2-enoate
CID 175199551
1-[(1R,2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethylcyclopentyl]ethanone
CID 59619318
[3-[tert-butyl(dimethyl)silyl]oxycyclobutyl]methanethiol
CID 171781505
ethyl 3-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-2-methylprop-2-enoate
CID 54522680
diethyl 5-aminocyclohexane-1,3-dicarboxylate
CID 117273182

Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxycyclobutane-1-carboxamide;ethyl 3-[tert-butyl(dimethyl)silyl]oxycyclobutane-1-carboxylate?
The IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxycyclobutane-1-carboxamide;ethyl 3-[tert-butyl(dimethyl)silyl]oxycyclobutane-1-carboxylate (CID 158231252) is 3-[tert-butyl(dimethyl)silyl]oxycyclobutane-1-carboxamide;ethyl 3-[tert-butyl(dimethyl)silyl]oxycyclobutane-1-carboxylate.
What is the SMILES notation for 3-[tert-butyl(dimethyl)silyl]oxycyclobutane-1-carboxamide;ethyl 3-[tert-butyl(dimethyl)silyl]oxycyclobutane-1-carboxylate?
The canonical SMILES for 3-[tert-butyl(dimethyl)silyl]oxycyclobutane-1-carboxamide;ethyl 3-[tert-butyl(dimethyl)silyl]oxycyclobutane-1-carboxylate is CC(C)(C)[Si](C)(C)OC1CC(C(N)=O)C1.CCOC(=O)C1CC(O[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of 3-[tert-butyl(dimethyl)silyl]oxycyclobutane-1-carboxamide;ethyl 3-[tert-butyl(dimethyl)silyl]oxycyclobutane-1-carboxylate?
The InChIKey is GEKHFHINUPTDRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O3Si.C11H23NO2Si/c1-7-15-12(14)10-8-11(9-10)16-17(5,6)13(2,3)4;1-11(2,3)15(4,5)14-9-6-8(7-9)10(12)13/h10-11H,7-9H2,1-6H3;8-9H,6-7H2,1-5H3,(H2,12,13).
What are the key properties of 3-[tert-butyl(dimethyl)silyl]oxycyclobutane-1-carboxamide;ethyl 3-[tert-butyl(dimethyl)silyl]oxycyclobutane-1-carboxylate?
3-[tert-butyl(dimethyl)silyl]oxycyclobutane-1-carboxamide;ethyl 3-[tert-butyl(dimethyl)silyl]oxycyclobutane-1-carboxylate has a molecular weight of 487.83 g/mol, XLogP of 5.62, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(dimethyl)silyl]oxycyclobutane-1-carboxamide;ethyl 3-[tert-butyl(dimethyl)silyl]oxycyclobutane-1-carboxylate is sourced from PubChem (CID 158231252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).