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

C18H33NO6Si — CID 10872778

IUPACtert-butyl (5S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-2-oxo-1,10-dioxa-3-azaspiro[4.5]decane-3-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@]2(OCCC[C@@H]2O[Si](C)(C)C(C)(C)C)OC1=O
InChIInChI=1S/C18H33NO6Si/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/h13H,9-12H2,1-8H3/t13-,18-/m0/s1
InChIKeyFLKYIMFJDFKKEP-UGSOOPFHSA-N
MW387.55 g/mol
LogP4.27
Rot. Bonds2

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

tert-butyl (5S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-2-oxo-1,10-dioxa-3-azaspiro[4.5]decane-3-carboxylate (PubChem CID 10872778) has the molecular formula C18H33NO6Si and a molecular weight of 387.55 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]decane-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (5S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-2-oxo-1,10-dioxa-3-azaspiro[4.5]decane-3-carboxylate
PubChem CID10872778
Molecular FormulaC18H33NO6Si
Molecular Weight387.55 g/mol
Exact Mass387.21
IUPAC Nametert-butyl (5S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-2-oxo-1,10-dioxa-3-azaspiro[4.5]decane-3-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@]2(OCCC[C@@H]2O[Si](C)(C)C(C)(C)C)OC1=O
InChIInChI=1S/C18H33NO6Si/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/h13H,9-12H2,1-8H3/t13-,18-/m0/s1
InChIKeyFLKYIMFJDFKKEP-UGSOOPFHSA-N
XLogP4.27
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.55
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', '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 (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 (3'aR,5S,7'S)-7'-[tert-butyl(dimethyl)silyl]oxy-2',2'-diethyl-2-oxospiro[1,3-oxazolidine-5,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-3-carboxylate
CID 58766091
tert-butyl (2S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethoxy]pyrrolidine-1-carboxylate
CID 153439551
tert-butyl (2S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[2-[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethoxy]ethoxy]pyrrolidine-1-carboxylate
CID 153439571
tert-butyl (2S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]pyrrolidine-1-carboxylate
CID 153439577
tert-butyl (3'aR,5S,7'S,7'aR)-7'-[tert-butyl(dimethyl)silyl]oxy-2',2'-diethyl-2-oxospiro[1,3-oxazolidine-5,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-3-carboxylate
CID 10885420
tert-butyl (3'aR,5S,7'S,7'aR)-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 11070056
(3'aR,5S,7'S,7'aR)-7'-[tert-butyl(dimethyl)silyl]oxy-2',2',3-trimethylspiro[1,3-oxazolidine-5,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-2-one
CID 11079276
tert-butyl (3'aR,5S,7'S,7'aR)-7'-[tert-butyl(dimethyl)silyl]oxy-2',2'-dimethyl-2-oxospiro[1,3-oxazolidine-5,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-3-carboxylate
CID 11476681
tert-butyl (4R)-4-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-oxo-1,3-oxazolidine-3-carboxylate
CID 11729703
tert-butyl (2R,3S,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrrolidine-1-carboxylate
CID 21602005

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]decane-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]decane-3-carboxylate (CID 10872778) is tert-butyl (5S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-2-oxo-1,10-dioxa-3-azaspiro[4.5]decane-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]decane-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]decane-3-carboxylate is CC(C)(C)OC(=O)N1C[C@]2(OCCC[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]decane-3-carboxylate?
The InChIKey is FLKYIMFJDFKKEP-UGSOOPFHSA-N. The full InChI is InChI=1S/C18H33NO6Si/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/h13H,9-12H2,1-8H3/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]decane-3-carboxylate?
tert-butyl (5S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-2-oxo-1,10-dioxa-3-azaspiro[4.5]decane-3-carboxylate has a molecular weight of 387.55 g/mol, XLogP of 4.27, 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]decane-3-carboxylate is sourced from PubChem (CID 10872778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).