benzyl (2S,3R)-6-ethenyl-2-methyl-3-tri(propan-2-yl)silyloxy-3,4-dihydro-2H-pyridine-1-carboxylate

C25H39NO3Si — CID 10741256

IUPACbenzyl (2S,3R)-6-ethenyl-2-methyl-3-tri(propan-2-yl)silyloxy-3,4-dihydro-2H-pyridine-1-carboxylate
SMILESC=CC1=CC[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H](C)N1C(=O)OCc1ccccc1
InChIInChI=1S/C25H39NO3Si/c1-9-23-15-16-24(29-30(18(2)3,19(4)5)20(6)7)21(8)26(23)25(27)28-17-22-13-11-10-12-14-22/h9-15,18-21,24H,1,16-17H2,2-8H3/t21-,24+/m0/s1
InChIKeyVSXBEITZKNVZQF-XUZZJYLKSA-N
MW429.68 g/mol
LogP7.05
Rot. Bonds8

About benzyl (2S,3R)-6-ethenyl-2-methyl-3-tri(propan-2-yl)silyloxy-3,4-dihydro-2H-pyridine-1-carboxylate

benzyl (2S,3R)-6-ethenyl-2-methyl-3-tri(propan-2-yl)silyloxy-3,4-dihydro-2H-pyridine-1-carboxylate (PubChem CID 10741256) has the molecular formula C25H39NO3Si and a molecular weight of 429.68 g/mol. Its IUPAC name is benzyl (2S,3R)-6-ethenyl-2-methyl-3-tri(propan-2-yl)silyloxy-3,4-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (2S,3R)-6-ethenyl-2-methyl-3-tri(propan-2-yl)silyloxy-3,4-dihydro-2H-pyridine-1-carboxylate
PubChem CID10741256
Molecular FormulaC25H39NO3Si
Molecular Weight429.68 g/mol
Exact Mass429.27
IUPAC Namebenzyl (2S,3R)-6-ethenyl-2-methyl-3-tri(propan-2-yl)silyloxy-3,4-dihydro-2H-pyridine-1-carboxylate
SMILESC=CC1=CC[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H](C)N1C(=O)OCc1ccccc1
InChIInChI=1S/C25H39NO3Si/c1-9-23-15-16-24(29-30(18(2)3,19(4)5)20(6)7)21(8)26(23)25(27)28-17-22-13-11-10-12-14-22/h9-15,18-21,24H,1,16-17H2,2-8H3/t21-,24+/m0/s1
InChIKeyVSXBEITZKNVZQF-XUZZJYLKSA-N
XLogP7.05
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.68
LogP ≤ 57.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 benzyl (2S,3R)-6-ethenyl-2-methyl-3-tri(propan-2-yl)silyloxy-3,4-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of benzyl (2S,3R)-6-ethenyl-2-methyl-3-tri(propan-2-yl)silyloxy-3,4-dihydro-2H-pyridine-1-carboxylate (CID 10741256) is benzyl (2S,3R)-6-ethenyl-2-methyl-3-tri(propan-2-yl)silyloxy-3,4-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for benzyl (2S,3R)-6-ethenyl-2-methyl-3-tri(propan-2-yl)silyloxy-3,4-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for benzyl (2S,3R)-6-ethenyl-2-methyl-3-tri(propan-2-yl)silyloxy-3,4-dihydro-2H-pyridine-1-carboxylate is C=CC1=CC[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H](C)N1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl (2S,3R)-6-ethenyl-2-methyl-3-tri(propan-2-yl)silyloxy-3,4-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is VSXBEITZKNVZQF-XUZZJYLKSA-N. The full InChI is InChI=1S/C25H39NO3Si/c1-9-23-15-16-24(29-30(18(2)3,19(4)5)20(6)7)21(8)26(23)25(27)28-17-22-13-11-10-12-14-22/h9-15,18-21,24H,1,16-17H2,2-8H3/t21-,24+/m0/s1.
What are the key properties of benzyl (2S,3R)-6-ethenyl-2-methyl-3-tri(propan-2-yl)silyloxy-3,4-dihydro-2H-pyridine-1-carboxylate?
benzyl (2S,3R)-6-ethenyl-2-methyl-3-tri(propan-2-yl)silyloxy-3,4-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 429.68 g/mol, XLogP of 7.05, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2S,3R)-6-ethenyl-2-methyl-3-tri(propan-2-yl)silyloxy-3,4-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 10741256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).