ethyl 2-[2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclobutanecarbonyl]hydrazinyl]-2-oxoacetate

C16H30N2O5Si — CID 140804609

IUPACethyl 2-[2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclobutanecarbonyl]hydrazinyl]-2-oxoacetate
SMILESCCOC(=O)C(=O)NNC(=O)C1CC(CO[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C16H30N2O5Si/c1-7-22-15(21)14(20)18-17-13(19)12-8-11(9-12)10-23-24(5,6)16(2,3)4/h11-12H,7-10H2,1-6H3,(H,17,19)(H,18,20)
InChIKeyICRHNZCFFOLQSZ-UHFFFAOYSA-N
MW358.51 g/mol
LogP1.74
Rot. Bonds5

About ethyl 2-[2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclobutanecarbonyl]hydrazinyl]-2-oxoacetate

ethyl 2-[2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclobutanecarbonyl]hydrazinyl]-2-oxoacetate (PubChem CID 140804609) has the molecular formula C16H30N2O5Si and a molecular weight of 358.51 g/mol. Its IUPAC name is ethyl 2-[2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclobutanecarbonyl]hydrazinyl]-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-[2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclobutanecarbonyl]hydrazinyl]-2-oxoacetate
PubChem CID140804609
Molecular FormulaC16H30N2O5Si
Molecular Weight358.51 g/mol
Exact Mass358.19
IUPAC Nameethyl 2-[2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclobutanecarbonyl]hydrazinyl]-2-oxoacetate
SMILESCCOC(=O)C(=O)NNC(=O)C1CC(CO[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C16H30N2O5Si/c1-7-22-15(21)14(20)18-17-13(19)12-8-11(9-12)10-23-24(5,6)16(2,3)4/h11-12H,7-10H2,1-6H3,(H,17,19)(H,18,20)
InChIKeyICRHNZCFFOLQSZ-UHFFFAOYSA-N
XLogP1.74
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl (2S,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidine-2-carboxylate
CID 68931973
methyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylpiperidine-1-carboxylate
CID 66732037
ethyl (E)-3-[(1S,2R)-2-[(1R,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]-1-methylcyclopropyl]-2-methylprop-2-enoate
CID 10991794
4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexan-1-amine
CID 170953372
4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexan-1-one
CID 59734106
3-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidine-1-carboxylic acid
CID 90457958
1-O-tert-butyl 3-O-ethyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxopiperidine-1,3-dicarboxylate
CID 15386081
ethyl 2-[(3S,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylcyclopentylidene]acetate
CID 67216895
3-[tert-butyl(dimethyl)silyl]oxycyclobutane-1-carboxamide;ethyl 3-[tert-butyl(dimethyl)silyl]oxycyclobutane-1-carboxylate
CID 158231252
ethyl 5-[(1S,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]penta-2,4-dienoate
CID 54468465
ethyl 3-[tert-butyl(dimethyl)silyl]oxycyclopentane-1-carboxylate
CID 141450623
1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]-2-dimethoxyphosphorylethanone
CID 131746645

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclobutanecarbonyl]hydrazinyl]-2-oxoacetate?
The IUPAC name of ethyl 2-[2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclobutanecarbonyl]hydrazinyl]-2-oxoacetate (CID 140804609) is ethyl 2-[2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclobutanecarbonyl]hydrazinyl]-2-oxoacetate.
What is the SMILES notation for ethyl 2-[2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclobutanecarbonyl]hydrazinyl]-2-oxoacetate?
The canonical SMILES for ethyl 2-[2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclobutanecarbonyl]hydrazinyl]-2-oxoacetate is CCOC(=O)C(=O)NNC(=O)C1CC(CO[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of ethyl 2-[2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclobutanecarbonyl]hydrazinyl]-2-oxoacetate?
The InChIKey is ICRHNZCFFOLQSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O5Si/c1-7-22-15(21)14(20)18-17-13(19)12-8-11(9-12)10-23-24(5,6)16(2,3)4/h11-12H,7-10H2,1-6H3,(H,17,19)(H,18,20).
What are the key properties of ethyl 2-[2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclobutanecarbonyl]hydrazinyl]-2-oxoacetate?
ethyl 2-[2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclobutanecarbonyl]hydrazinyl]-2-oxoacetate has a molecular weight of 358.51 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclobutanecarbonyl]hydrazinyl]-2-oxoacetate is sourced from PubChem (CID 140804609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).