benzyl (2S,5R,6S)-2-[[dimethyl(phenyl)silyl]methyl]-6-ethenyl-1-azaspiro[4.5]decane-1-carboxylate

C28H37NO2Si — CID 11812367

IUPACbenzyl (2S,5R,6S)-2-[[dimethyl(phenyl)silyl]methyl]-6-ethenyl-1-azaspiro[4.5]decane-1-carboxylate
SMILESC=C[C@@H]1CCCC[C@@]12CC[C@@H](C[Si](C)(C)c1ccccc1)N2C(=O)OCc1ccccc1
InChIInChI=1S/C28H37NO2Si/c1-4-24-15-11-12-19-28(24)20-18-25(22-32(2,3)26-16-9-6-10-17-26)29(28)27(30)31-21-23-13-7-5-8-14-23/h4-10,13-14,16-17,24-25H,1,11-12,15,18-22H2,2-3H3/t24-,25+,28-/m1/s1
InChIKeyGYXXALIRYBPUBF-CERRFVOPSA-N
MW447.70 g/mol
LogP6.52
Rot. Bonds6

About benzyl (2S,5R,6S)-2-[[dimethyl(phenyl)silyl]methyl]-6-ethenyl-1-azaspiro[4.5]decane-1-carboxylate

benzyl (2S,5R,6S)-2-[[dimethyl(phenyl)silyl]methyl]-6-ethenyl-1-azaspiro[4.5]decane-1-carboxylate (PubChem CID 11812367) has the molecular formula C28H37NO2Si and a molecular weight of 447.70 g/mol. Its IUPAC name is benzyl (2S,5R,6S)-2-[[dimethyl(phenyl)silyl]methyl]-6-ethenyl-1-azaspiro[4.5]decane-1-carboxylate.

Molecular Properties

Compound Namebenzyl (2S,5R,6S)-2-[[dimethyl(phenyl)silyl]methyl]-6-ethenyl-1-azaspiro[4.5]decane-1-carboxylate
PubChem CID11812367
Molecular FormulaC28H37NO2Si
Molecular Weight447.70 g/mol
Exact Mass447.26
IUPAC Namebenzyl (2S,5R,6S)-2-[[dimethyl(phenyl)silyl]methyl]-6-ethenyl-1-azaspiro[4.5]decane-1-carboxylate
SMILESC=C[C@@H]1CCCC[C@@]12CC[C@@H](C[Si](C)(C)c1ccccc1)N2C(=O)OCc1ccccc1
InChIInChI=1S/C28H37NO2Si/c1-4-24-15-11-12-19-28(24)20-18-25(22-32(2,3)26-16-9-6-10-17-26)29(28)27(30)31-21-23-13-7-5-8-14-23/h4-10,13-14,16-17,24-25H,1,11-12,15,18-22H2,2-3H3/t24-,25+,28-/m1/s1
InChIKeyGYXXALIRYBPUBF-CERRFVOPSA-N
XLogP6.52
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.70
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

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CID 70248030
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CID 122530664
benzyl (2R,6S)-2-ethenyl-6-prop-2-enylpiperidine-1-carboxylate
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CID 154707787
benzyl (2R)-2-[(2R)-2-hydroxypropyl]pyrrolidine-1-carboxylate
CID 101038867
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benzyl 1-ethenyl-3-azabicyclo[3.1.0]hexane-3-carboxylate
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Frequently Asked Questions

What is the IUPAC name of benzyl (2S,5R,6S)-2-[[dimethyl(phenyl)silyl]methyl]-6-ethenyl-1-azaspiro[4.5]decane-1-carboxylate?
The IUPAC name of benzyl (2S,5R,6S)-2-[[dimethyl(phenyl)silyl]methyl]-6-ethenyl-1-azaspiro[4.5]decane-1-carboxylate (CID 11812367) is benzyl (2S,5R,6S)-2-[[dimethyl(phenyl)silyl]methyl]-6-ethenyl-1-azaspiro[4.5]decane-1-carboxylate.
What is the SMILES notation for benzyl (2S,5R,6S)-2-[[dimethyl(phenyl)silyl]methyl]-6-ethenyl-1-azaspiro[4.5]decane-1-carboxylate?
The canonical SMILES for benzyl (2S,5R,6S)-2-[[dimethyl(phenyl)silyl]methyl]-6-ethenyl-1-azaspiro[4.5]decane-1-carboxylate is C=C[C@@H]1CCCC[C@@]12CC[C@@H](C[Si](C)(C)c1ccccc1)N2C(=O)OCc1ccccc1.
What is the InChIKey of benzyl (2S,5R,6S)-2-[[dimethyl(phenyl)silyl]methyl]-6-ethenyl-1-azaspiro[4.5]decane-1-carboxylate?
The InChIKey is GYXXALIRYBPUBF-CERRFVOPSA-N. The full InChI is InChI=1S/C28H37NO2Si/c1-4-24-15-11-12-19-28(24)20-18-25(22-32(2,3)26-16-9-6-10-17-26)29(28)27(30)31-21-23-13-7-5-8-14-23/h4-10,13-14,16-17,24-25H,1,11-12,15,18-22H2,2-3H3/t24-,25+,28-/m1/s1.
What are the key properties of benzyl (2S,5R,6S)-2-[[dimethyl(phenyl)silyl]methyl]-6-ethenyl-1-azaspiro[4.5]decane-1-carboxylate?
benzyl (2S,5R,6S)-2-[[dimethyl(phenyl)silyl]methyl]-6-ethenyl-1-azaspiro[4.5]decane-1-carboxylate has a molecular weight of 447.70 g/mol, XLogP of 6.52, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2S,5R,6S)-2-[[dimethyl(phenyl)silyl]methyl]-6-ethenyl-1-azaspiro[4.5]decane-1-carboxylate is sourced from PubChem (CID 11812367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).