tert-butyl (5S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-2-oxo-1,10-dioxa-3-azaspiro[4.5]dec-7-ene-3-carboxylate

C18H31NO6Si — CID 11014510

IUPACtert-butyl (5S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-2-oxo-1,10-dioxa-3-azaspiro[4.5]dec-7-ene-3-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@]2(OCC=C[C@@H]2O[Si](C)(C)C(C)(C)C)OC1=O
InChIInChI=1S/C18H31NO6Si/c1-16(2,3)23-14(20)19-12-18(24-15(19)21)13(10-9-11-22-18)25-26(7,8)17(4,5)6/h9-10,13H,11-12H2,1-8H3/t13-,18-/m0/s1
InChIKeyDNBOCIRWLPSQPF-UGSOOPFHSA-N
MW385.53 g/mol
LogP4.05
Rot. Bonds2

About tert-butyl (5S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-2-oxo-1,10-dioxa-3-azaspiro[4.5]dec-7-ene-3-carboxylate

tert-butyl (5S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-2-oxo-1,10-dioxa-3-azaspiro[4.5]dec-7-ene-3-carboxylate (PubChem CID 11014510) has the molecular formula C18H31NO6Si and a molecular weight of 385.53 g/mol. Its IUPAC name is tert-butyl (5S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-2-oxo-1,10-dioxa-3-azaspiro[4.5]dec-7-ene-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (5S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-2-oxo-1,10-dioxa-3-azaspiro[4.5]dec-7-ene-3-carboxylate
PubChem CID11014510
Molecular FormulaC18H31NO6Si
Molecular Weight385.53 g/mol
Exact Mass385.19
IUPAC Nametert-butyl (5S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-2-oxo-1,10-dioxa-3-azaspiro[4.5]dec-7-ene-3-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@]2(OCC=C[C@@H]2O[Si](C)(C)C(C)(C)C)OC1=O
InChIInChI=1S/C18H31NO6Si/c1-16(2,3)23-14(20)19-12-18(24-15(19)21)13(10-9-11-22-18)25-26(7,8)17(4,5)6/h9-10,13H,11-12H2,1-8H3/t13-,18-/m0/s1
InChIKeyDNBOCIRWLPSQPF-UGSOOPFHSA-N
XLogP4.05
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.53
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

tert-butyl (3'aR,5S,7'S)-7'-[tert-butyl(dimethyl)silyl]oxy-2-oxospiro[1,3-oxazolidine-5,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-3-carboxylate
CID 58766035
tert-butyl-[[(5S,6S)-2,2-dimethyl-1,3,10-trioxaspiro[4.5]dec-7-en-6-yl]oxy]-dimethylsilane
CID 58766039
methyl 3-[tert-butyl(dimethyl)silyl]oxy-3,6-dihydrooxazine-2-carboxylate
CID 14774930
tert-butyl (4R)-4-[(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-2-oxopyrrolidine-1-carboxylate
CID 10576852
tert-butyl (3S,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]pyrrolidine-1-carboxylate
CID 135017355
tert-butyl (1S,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-azabicyclo[2.1.1]hexane-2-carboxylate
CID 53306128
tert-butyl (3'aR,4S,7'S)-7'-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-2'-oxospiro[1,3-dioxolane-4,6'-3a,4,7,7a-tetrahydropyrano[3,4-d][1,3]oxazole]-3'-carboxylate
CID 58766059
tert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-2-prop-1-en-2-ylpyrrolidine-1-carboxylate
CID 85290251
tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(4-formylphenyl)pyrrolidine-1-carboxylate
CID 10763827
tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-2-methylpyrrolidine-1-carboxylate
CID 159982570
(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 54215964
tert-butyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-formylpyrrolidine-1-carboxylate
CID 16732142

Frequently Asked Questions

What is the IUPAC name of tert-butyl (5S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-2-oxo-1,10-dioxa-3-azaspiro[4.5]dec-7-ene-3-carboxylate?
The IUPAC name of tert-butyl (5S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-2-oxo-1,10-dioxa-3-azaspiro[4.5]dec-7-ene-3-carboxylate (CID 11014510) is tert-butyl (5S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-2-oxo-1,10-dioxa-3-azaspiro[4.5]dec-7-ene-3-carboxylate.
What is the SMILES notation for tert-butyl (5S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-2-oxo-1,10-dioxa-3-azaspiro[4.5]dec-7-ene-3-carboxylate?
The canonical SMILES for tert-butyl (5S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-2-oxo-1,10-dioxa-3-azaspiro[4.5]dec-7-ene-3-carboxylate is CC(C)(C)OC(=O)N1C[C@]2(OCC=C[C@@H]2O[Si](C)(C)C(C)(C)C)OC1=O.
What is the InChIKey of tert-butyl (5S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-2-oxo-1,10-dioxa-3-azaspiro[4.5]dec-7-ene-3-carboxylate?
The InChIKey is DNBOCIRWLPSQPF-UGSOOPFHSA-N. The full InChI is InChI=1S/C18H31NO6Si/c1-16(2,3)23-14(20)19-12-18(24-15(19)21)13(10-9-11-22-18)25-26(7,8)17(4,5)6/h9-10,13H,11-12H2,1-8H3/t13-,18-/m0/s1.
What are the key properties of tert-butyl (5S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-2-oxo-1,10-dioxa-3-azaspiro[4.5]dec-7-ene-3-carboxylate?
tert-butyl (5S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-2-oxo-1,10-dioxa-3-azaspiro[4.5]dec-7-ene-3-carboxylate has a molecular weight of 385.53 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (5S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-2-oxo-1,10-dioxa-3-azaspiro[4.5]dec-7-ene-3-carboxylate is sourced from PubChem (CID 11014510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).