methyl (3R,6R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-prop-2-enyl-3,6-dihydro-2H-pyridine-1-carboxylate

C27H35NO3Si — CID 42612329

IUPACmethyl (3R,6R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-prop-2-enyl-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESC=CC[C@@H]1C=C[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CN1C(=O)OC
InChIInChI=1S/C27H35NO3Si/c1-6-13-23-19-18-22(20-28(23)26(29)30-5)21-31-32(27(2,3)4,24-14-9-7-10-15-24)25-16-11-8-12-17-25/h6-12,14-19,22-23H,1,13,20-21H2,2-5H3/t22-,23-/m1/s1
InChIKeyAGVVYXWIVAJTRP-DHIUTWEWSA-N
MW449.67 g/mol
LogP4.76
Rot. Bonds7

About methyl (3R,6R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-prop-2-enyl-3,6-dihydro-2H-pyridine-1-carboxylate

methyl (3R,6R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-prop-2-enyl-3,6-dihydro-2H-pyridine-1-carboxylate (PubChem CID 42612329) has the molecular formula C27H35NO3Si and a molecular weight of 449.67 g/mol. Its IUPAC name is methyl (3R,6R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-prop-2-enyl-3,6-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Namemethyl (3R,6R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-prop-2-enyl-3,6-dihydro-2H-pyridine-1-carboxylate
PubChem CID42612329
Molecular FormulaC27H35NO3Si
Molecular Weight449.67 g/mol
Exact Mass449.24
IUPAC Namemethyl (3R,6R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-prop-2-enyl-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESC=CC[C@@H]1C=C[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CN1C(=O)OC
InChIInChI=1S/C27H35NO3Si/c1-6-13-23-19-18-22(20-28(23)26(29)30-5)21-31-32(27(2,3)4,24-14-9-7-10-15-24)25-16-11-8-12-17-25/h6-12,14-19,22-23H,1,13,20-21H2,2-5H3/t22-,23-/m1/s1
InChIKeyAGVVYXWIVAJTRP-DHIUTWEWSA-N
XLogP4.76
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.67
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[3-[Tert-butyl(diphenyl)silyl]oxy-2-methylpropyl]-fluorocarbamic acid
CID 173677873
Tert-butyl 3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,5-dihydropyrrole-1-carboxylate
CID 11270902
methyl (3R,6R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-[(E)-3-nitroprop-2-enyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 42612330
(2S,4R)-5-((tert-Butyldiphenylsilyl)oxy)-2,4-dimethylpentyl diisopropylcarbamate
CID 74982242
tert-butyl N-[1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl]-N-formylcarbamate
CID 75233329
Tert-butyl 3-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-oxo-2,3-dihydropyridine-1-carboxylate
CID 101218123
tert-butyl 3-[tert-butyl(diphenyl)silyl]oxy-5-ethenyl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 135066877
tert-butyl N-[4-[tert-butyl(diphenyl)silyl]oxy-2-methylidenebutyl]-N-prop-2-enylcarbamate
CID 135072708
[(Z)-3-(tert-butyl-methoxy-phenylsilyl)prop-1-enyl] N,N-di(propan-2-yl)carbamate
CID 154720372
2,2,2-trifluoroethyl N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-propan-2-ylcarbamate
CID 11005148
2,2-difluoroethenyl N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-propan-2-ylcarbamate
CID 11124492
methyl (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,3-dihydropyrrole-1-carboxylate
CID 15483168

Frequently Asked Questions

What is the IUPAC name of methyl (3R,6R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-prop-2-enyl-3,6-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of methyl (3R,6R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-prop-2-enyl-3,6-dihydro-2H-pyridine-1-carboxylate (CID 42612329) is methyl (3R,6R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-prop-2-enyl-3,6-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for methyl (3R,6R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-prop-2-enyl-3,6-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for methyl (3R,6R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-prop-2-enyl-3,6-dihydro-2H-pyridine-1-carboxylate is C=CC[C@@H]1C=C[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CN1C(=O)OC.
What is the InChIKey of methyl (3R,6R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-prop-2-enyl-3,6-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is AGVVYXWIVAJTRP-DHIUTWEWSA-N. The full InChI is InChI=1S/C27H35NO3Si/c1-6-13-23-19-18-22(20-28(23)26(29)30-5)21-31-32(27(2,3)4,24-14-9-7-10-15-24)25-16-11-8-12-17-25/h6-12,14-19,22-23H,1,13,20-21H2,2-5H3/t22-,23-/m1/s1.
What are the key properties of methyl (3R,6R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-prop-2-enyl-3,6-dihydro-2H-pyridine-1-carboxylate?
methyl (3R,6R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-prop-2-enyl-3,6-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 449.67 g/mol, XLogP of 4.76, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R,6R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-prop-2-enyl-3,6-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 42612329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).