1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-4-one

C20H43NO3Si2 — CID 135063911

IUPAC1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-4-one
SMILESCC(C)(C)[Si](C)(C)OCCN1CCC(=O)CC1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H43NO3Si2/c1-19(2,3)25(7,8)23-14-13-21-12-11-18(22)15-17(21)16-24-26(9,10)20(4,5)6/h17H,11-16H2,1-10H3
InChIKeyBVUBOSUAOCLZQJ-UHFFFAOYSA-N
MW401.74 g/mol
LogP5.06
Rot. Bonds7

About 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-4-one

1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-4-one (PubChem CID 135063911) has the molecular formula C20H43NO3Si2 and a molecular weight of 401.74 g/mol. Its IUPAC name is 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-4-one.

Molecular Properties

Compound Name1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-4-one
PubChem CID135063911
Molecular FormulaC20H43NO3Si2
Molecular Weight401.74 g/mol
Exact Mass401.28
IUPAC Name1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-4-one
SMILESCC(C)(C)[Si](C)(C)OCCN1CCC(=O)CC1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H43NO3Si2/c1-19(2,3)25(7,8)23-14-13-21-12-11-18(22)15-17(21)16-24-26(9,10)20(4,5)6/h17H,11-16H2,1-10H3
InChIKeyBVUBOSUAOCLZQJ-UHFFFAOYSA-N
XLogP5.06
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.74
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-4-one?
The IUPAC name of 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-4-one (CID 135063911) is 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-4-one.
What is the SMILES notation for 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-4-one?
The canonical SMILES for 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-4-one is CC(C)(C)[Si](C)(C)OCCN1CCC(=O)CC1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-4-one?
The InChIKey is BVUBOSUAOCLZQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H43NO3Si2/c1-19(2,3)25(7,8)23-14-13-21-12-11-18(22)15-17(21)16-24-26(9,10)20(4,5)6/h17H,11-16H2,1-10H3.
What are the key properties of 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-4-one?
1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-4-one has a molecular weight of 401.74 g/mol, XLogP of 5.06, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-4-one is sourced from PubChem (CID 135063911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).