tert-butyl 10,10-dimethyl-8,12-dioxo-9,11-dioxa-3-azadispiro[5.0.57.16]tridecane-3-carboxylate

C17H25NO6 — CID 125180263

IUPACtert-butyl 10,10-dimethyl-8,12-dioxo-9,11-dioxa-3-azadispiro[5.0.57.16]tridecane-3-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)CC21C(=O)OC(C)(C)OC1=O
InChIInChI=1S/C17H25NO6/c1-14(2,3)24-13(21)18-8-6-16(7-9-18)10-17(16)11(19)22-15(4,5)23-12(17)20/h6-10H2,1-5H3
InChIKeyDHWQNHQTKRNOCY-UHFFFAOYSA-N
MW339.39 g/mol
LogP2.23
Rot. Bonds

About tert-butyl 10,10-dimethyl-8,12-dioxo-9,11-dioxa-3-azadispiro[5.0.57.16]tridecane-3-carboxylate

tert-butyl 10,10-dimethyl-8,12-dioxo-9,11-dioxa-3-azadispiro[5.0.57.16]tridecane-3-carboxylate (PubChem CID 125180263) has the molecular formula C17H25NO6 and a molecular weight of 339.39 g/mol. Its IUPAC name is tert-butyl 10,10-dimethyl-8,12-dioxo-9,11-dioxa-3-azadispiro[5.0.57.16]tridecane-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 10,10-dimethyl-8,12-dioxo-9,11-dioxa-3-azadispiro[5.0.57.16]tridecane-3-carboxylate
PubChem CID125180263
Molecular FormulaC17H25NO6
Molecular Weight339.39 g/mol
Exact Mass339.17
IUPAC Nametert-butyl 10,10-dimethyl-8,12-dioxo-9,11-dioxa-3-azadispiro[5.0.57.16]tridecane-3-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)CC21C(=O)OC(C)(C)OC1=O
InChIInChI=1S/C17H25NO6/c1-14(2,3)24-13(21)18-8-6-16(7-9-18)10-17(16)11(19)22-15(4,5)23-12(17)20/h6-10H2,1-5H3
InChIKeyDHWQNHQTKRNOCY-UHFFFAOYSA-N
XLogP2.23
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze tert-butyl 10,10-dimethyl-8,12-dioxo-9,11-dioxa-3-azadispiro[5.0.57.16]tridecane-3-carboxylate with MolForge

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Related Compounds

tert-butyl 2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxylate
CID 10015278
tert-butyl 4,4-dimethyl-5-oxoazepane-1-carboxylate
CID 118230377
tert-butyl 4-tert-butyl-4-methylpiperidine-1-carboxylate
CID 122487124
tert-butyl 2-oxo-1-oxa-9-azaspiro[5.5]undecane-9-carboxylate
CID 22975821
tert-butyl 4,4-dimethyl-2-oxo-1-oxa-7-azaspiro[4.4]nonane-7-carboxylate
CID 66662118
tert-butyl 4,4-dimethyl-3-oxopiperidine-1-carboxylate
CID 86276531
tert-butyl 4-hydroxy-4-methylpiperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate
CID 160805551
ethane;4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
CID 142839957
tert-butyl 6-azaspiro[2.5]octane-6-carboxylate;methane
CID 177036398
tert-butyl (3S)-3-(hydroxymethyl)-1-oxo-2-oxa-8-azaspiro[4.5]decane-8-carboxylate
CID 97312173
tert-butyl 4-oxo-1,9-diazaspiro[5.5]undecane-9-carboxylate
CID 82379511
tert-butyl 2,4-dioxo-1-oxa-9-azaspiro[5.5]undecane-9-carboxylate
CID 155577232

Frequently Asked Questions

What is the IUPAC name of tert-butyl 10,10-dimethyl-8,12-dioxo-9,11-dioxa-3-azadispiro[5.0.57.16]tridecane-3-carboxylate?
The IUPAC name of tert-butyl 10,10-dimethyl-8,12-dioxo-9,11-dioxa-3-azadispiro[5.0.57.16]tridecane-3-carboxylate (CID 125180263) is tert-butyl 10,10-dimethyl-8,12-dioxo-9,11-dioxa-3-azadispiro[5.0.57.16]tridecane-3-carboxylate.
What is the SMILES notation for tert-butyl 10,10-dimethyl-8,12-dioxo-9,11-dioxa-3-azadispiro[5.0.57.16]tridecane-3-carboxylate?
The canonical SMILES for tert-butyl 10,10-dimethyl-8,12-dioxo-9,11-dioxa-3-azadispiro[5.0.57.16]tridecane-3-carboxylate is CC(C)(C)OC(=O)N1CCC2(CC1)CC21C(=O)OC(C)(C)OC1=O.
What is the InChIKey of tert-butyl 10,10-dimethyl-8,12-dioxo-9,11-dioxa-3-azadispiro[5.0.57.16]tridecane-3-carboxylate?
The InChIKey is DHWQNHQTKRNOCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO6/c1-14(2,3)24-13(21)18-8-6-16(7-9-18)10-17(16)11(19)22-15(4,5)23-12(17)20/h6-10H2,1-5H3.
What are the key properties of tert-butyl 10,10-dimethyl-8,12-dioxo-9,11-dioxa-3-azadispiro[5.0.57.16]tridecane-3-carboxylate?
tert-butyl 10,10-dimethyl-8,12-dioxo-9,11-dioxa-3-azadispiro[5.0.57.16]tridecane-3-carboxylate has a molecular weight of 339.39 g/mol, XLogP of 2.23, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 10,10-dimethyl-8,12-dioxo-9,11-dioxa-3-azadispiro[5.0.57.16]tridecane-3-carboxylate is sourced from PubChem (CID 125180263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).