methyl (2S,3R,6R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-ethyl-6-[3-(oxan-2-yloxy)propyl]piperidine-1-carboxylate

C34H51NO5Si — CID 11376685

IUPACmethyl (2S,3R,6R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-ethyl-6-[3-(oxan-2-yloxy)propyl]piperidine-1-carboxylate
SMILESCC[C@@H]1CC[C@H](CCCOC2CCCCO2)N(C(=O)OC)[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C34H51NO5Si/c1-6-27-22-23-28(16-15-25-39-32-21-13-14-24-38-32)35(33(36)37-5)31(27)26-40-41(34(2,3)4,29-17-9-7-10-18-29)30-19-11-8-12-20-30/h7-12,17-20,27-28,31-32H,6,13-16,21-26H2,1-5H3/t27-,28+,31-,32?/m1/s1
InChIKeyJEYPCUMOHFYLNW-QYOSBEHWSA-N
MW581.87 g/mol
LogP6.51
Rot. Bonds11

About methyl (2S,3R,6R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-ethyl-6-[3-(oxan-2-yloxy)propyl]piperidine-1-carboxylate

methyl (2S,3R,6R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-ethyl-6-[3-(oxan-2-yloxy)propyl]piperidine-1-carboxylate (PubChem CID 11376685) has the molecular formula C34H51NO5Si and a molecular weight of 581.87 g/mol. Its IUPAC name is methyl (2S,3R,6R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-ethyl-6-[3-(oxan-2-yloxy)propyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl (2S,3R,6R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-ethyl-6-[3-(oxan-2-yloxy)propyl]piperidine-1-carboxylate
PubChem CID11376685
Molecular FormulaC34H51NO5Si
Molecular Weight581.87 g/mol
Exact Mass581.35
IUPAC Namemethyl (2S,3R,6R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-ethyl-6-[3-(oxan-2-yloxy)propyl]piperidine-1-carboxylate
SMILESCC[C@@H]1CC[C@H](CCCOC2CCCCO2)N(C(=O)OC)[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C34H51NO5Si/c1-6-27-22-23-28(16-15-25-39-32-21-13-14-24-38-32)35(33(36)37-5)31(27)26-40-41(34(2,3)4,29-17-9-7-10-18-29)30-19-11-8-12-20-30/h7-12,17-20,27-28,31-32H,6,13-16,21-26H2,1-5H3/t27-,28+,31-,32?/m1/s1
InChIKeyJEYPCUMOHFYLNW-QYOSBEHWSA-N
XLogP6.51
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500581.87
LogP ≤ 56.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl (2S,3R,6R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-ethyl-6-[3-(oxan-2-yloxy)propyl]piperidine-1-carboxylate?
The IUPAC name of methyl (2S,3R,6R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-ethyl-6-[3-(oxan-2-yloxy)propyl]piperidine-1-carboxylate (CID 11376685) is methyl (2S,3R,6R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-ethyl-6-[3-(oxan-2-yloxy)propyl]piperidine-1-carboxylate.
What is the SMILES notation for methyl (2S,3R,6R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-ethyl-6-[3-(oxan-2-yloxy)propyl]piperidine-1-carboxylate?
The canonical SMILES for methyl (2S,3R,6R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-ethyl-6-[3-(oxan-2-yloxy)propyl]piperidine-1-carboxylate is CC[C@@H]1CC[C@H](CCCOC2CCCCO2)N(C(=O)OC)[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of methyl (2S,3R,6R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-ethyl-6-[3-(oxan-2-yloxy)propyl]piperidine-1-carboxylate?
The InChIKey is JEYPCUMOHFYLNW-QYOSBEHWSA-N. The full InChI is InChI=1S/C34H51NO5Si/c1-6-27-22-23-28(16-15-25-39-32-21-13-14-24-38-32)35(33(36)37-5)31(27)26-40-41(34(2,3)4,29-17-9-7-10-18-29)30-19-11-8-12-20-30/h7-12,17-20,27-28,31-32H,6,13-16,21-26H2,1-5H3/t27-,28+,31-,32?/m1/s1.
What are the key properties of methyl (2S,3R,6R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-ethyl-6-[3-(oxan-2-yloxy)propyl]piperidine-1-carboxylate?
methyl (2S,3R,6R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-ethyl-6-[3-(oxan-2-yloxy)propyl]piperidine-1-carboxylate has a molecular weight of 581.87 g/mol, XLogP of 6.51, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,3R,6R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-ethyl-6-[3-(oxan-2-yloxy)propyl]piperidine-1-carboxylate is sourced from PubChem (CID 11376685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).