methyl (2S,5S,6S,7S)-7-[tert-butyl(diphenyl)silyl]oxy-6-ethenyl-1-azaspiro[4.5]decane-2-carboxylate

C29H39NO3Si — CID 177450930

IUPACmethyl (2S,5S,6S,7S)-7-[tert-butyl(diphenyl)silyl]oxy-6-ethenyl-1-azaspiro[4.5]decane-2-carboxylate
SMILESC=C[C@@H]1[C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CCC[C@]12CC[C@@H](C(=O)OC)N2
InChIInChI=1S/C29H39NO3Si/c1-6-24-26(18-13-20-29(24)21-19-25(30-29)27(31)32-5)33-34(28(2,3)4,22-14-9-7-10-15-22)23-16-11-8-12-17-23/h6-12,14-17,24-26,30H,1,13,18-21H2,2-5H3/t24-,25+,26+,29+/m1/s1
InChIKeyORLXLWMDXAQYBU-NVGWLYTESA-N
MW477.72 g/mol
LogP4.58
Rot. Bonds6

About methyl (2S,5S,6S,7S)-7-[tert-butyl(diphenyl)silyl]oxy-6-ethenyl-1-azaspiro[4.5]decane-2-carboxylate

methyl (2S,5S,6S,7S)-7-[tert-butyl(diphenyl)silyl]oxy-6-ethenyl-1-azaspiro[4.5]decane-2-carboxylate (PubChem CID 177450930) has the molecular formula C29H39NO3Si and a molecular weight of 477.72 g/mol. Its IUPAC name is methyl (2S,5S,6S,7S)-7-[tert-butyl(diphenyl)silyl]oxy-6-ethenyl-1-azaspiro[4.5]decane-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S,5S,6S,7S)-7-[tert-butyl(diphenyl)silyl]oxy-6-ethenyl-1-azaspiro[4.5]decane-2-carboxylate
PubChem CID177450930
Molecular FormulaC29H39NO3Si
Molecular Weight477.72 g/mol
Exact Mass477.27
IUPAC Namemethyl (2S,5S,6S,7S)-7-[tert-butyl(diphenyl)silyl]oxy-6-ethenyl-1-azaspiro[4.5]decane-2-carboxylate
SMILESC=C[C@@H]1[C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CCC[C@]12CC[C@@H](C(=O)OC)N2
InChIInChI=1S/C29H39NO3Si/c1-6-24-26(18-13-20-29(24)21-19-25(30-29)27(31)32-5)33-34(28(2,3)4,22-14-9-7-10-15-22)23-16-11-8-12-17-23/h6-12,14-17,24-26,30H,1,13,18-21H2,2-5H3/t24-,25+,26+,29+/m1/s1
InChIKeyORLXLWMDXAQYBU-NVGWLYTESA-N
XLogP4.58
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.72
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl (2S,5S,6S,7S)-7-[tert-butyl(diphenyl)silyl]oxy-6-ethenyl-1-azaspiro[4.5]decane-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

trans-(1R,2R)-2-[tert-butyl(diphenyl)silyl]oxycyclopentane-1-carboxylic acid
CID 177365841
2-[(1S,2S)-2-[tert-butyl(diphenyl)silyl]oxycyclopentyl]acetic acid
CID 68922385
2-[2-[tert-butyl(diphenyl)silyl]oxycyclohexyl]acetic acid
CID 68920543
2-[(1S,2R)-2-[tert-butyl(diphenyl)silyl]oxycyclohexyl]acetic acid
CID 68920538
(3aR,4R,7aS)-4-[tert-butyl(diphenyl)silyl]oxy-7a-methyl-3,3a,4,5,6,7-hexahydro-2H-inden-1-one
CID 11373147
2-[2-[tert-butyl(diphenyl)silyl]oxycyclopentyl]-2-oxoacetaldehyde
CID 171085570
cis-methyl (3S,5R)-3,5-bis[[tert-butyl(diphenyl)silyl]oxy]cyclohexane-1-carboxylate
CID 58715061
methyl 3,5-bis[[tert-butyl(diphenyl)silyl]oxy]cyclohexane-1-carboxylate
CID 21062599
trans-(1R,2R)-2-[tert-butyl(diphenyl)silyl]oxy-5-methylcyclopentane-1-carboxylic acid
CID 170904665
(2R)-2-[tert-butyl(diphenyl)silyl]oxy-5-methylcyclopentane-1-carboxylic acid
CID 153312960
cis-(1R,2R)-2-[tert-butyl(diphenyl)silyl]oxycyclohexane-1-carbaldehyde
CID 58018792
3-[tert-butyl(diphenyl)silyl]oxy-4-ethenylpyrrolidine-1-carboxylic acid
CID 67033690

Frequently Asked Questions

What is the IUPAC name of methyl (2S,5S,6S,7S)-7-[tert-butyl(diphenyl)silyl]oxy-6-ethenyl-1-azaspiro[4.5]decane-2-carboxylate?
The IUPAC name of methyl (2S,5S,6S,7S)-7-[tert-butyl(diphenyl)silyl]oxy-6-ethenyl-1-azaspiro[4.5]decane-2-carboxylate (CID 177450930) is methyl (2S,5S,6S,7S)-7-[tert-butyl(diphenyl)silyl]oxy-6-ethenyl-1-azaspiro[4.5]decane-2-carboxylate.
What is the SMILES notation for methyl (2S,5S,6S,7S)-7-[tert-butyl(diphenyl)silyl]oxy-6-ethenyl-1-azaspiro[4.5]decane-2-carboxylate?
The canonical SMILES for methyl (2S,5S,6S,7S)-7-[tert-butyl(diphenyl)silyl]oxy-6-ethenyl-1-azaspiro[4.5]decane-2-carboxylate is C=C[C@@H]1[C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CCC[C@]12CC[C@@H](C(=O)OC)N2.
What is the InChIKey of methyl (2S,5S,6S,7S)-7-[tert-butyl(diphenyl)silyl]oxy-6-ethenyl-1-azaspiro[4.5]decane-2-carboxylate?
The InChIKey is ORLXLWMDXAQYBU-NVGWLYTESA-N. The full InChI is InChI=1S/C29H39NO3Si/c1-6-24-26(18-13-20-29(24)21-19-25(30-29)27(31)32-5)33-34(28(2,3)4,22-14-9-7-10-15-22)23-16-11-8-12-17-23/h6-12,14-17,24-26,30H,1,13,18-21H2,2-5H3/t24-,25+,26+,29+/m1/s1.
What are the key properties of methyl (2S,5S,6S,7S)-7-[tert-butyl(diphenyl)silyl]oxy-6-ethenyl-1-azaspiro[4.5]decane-2-carboxylate?
methyl (2S,5S,6S,7S)-7-[tert-butyl(diphenyl)silyl]oxy-6-ethenyl-1-azaspiro[4.5]decane-2-carboxylate has a molecular weight of 477.72 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,5S,6S,7S)-7-[tert-butyl(diphenyl)silyl]oxy-6-ethenyl-1-azaspiro[4.5]decane-2-carboxylate is sourced from PubChem (CID 177450930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).