ethyl 6-methyl-1,4-dioxa-9-azaspiro[4.5]decane-9-carboxylate

C11H19NO4 — CID 57045191

IUPACethyl 6-methyl-1,4-dioxa-9-azaspiro[4.5]decane-9-carboxylate
SMILESCCOC(=O)N1CCC(C)C2(C1)OCCO2
InChIInChI=1S/C11H19NO4/c1-3-14-10(13)12-5-4-9(2)11(8-12)15-6-7-16-11/h9H,3-8H2,1-2H3
InChIKeyYYQMVKTUNHLZEC-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.23
Rot. Bonds1

About ethyl 6-methyl-1,4-dioxa-9-azaspiro[4.5]decane-9-carboxylate

ethyl 6-methyl-1,4-dioxa-9-azaspiro[4.5]decane-9-carboxylate (PubChem CID 57045191) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is ethyl 6-methyl-1,4-dioxa-9-azaspiro[4.5]decane-9-carboxylate.

Molecular Properties

Compound Nameethyl 6-methyl-1,4-dioxa-9-azaspiro[4.5]decane-9-carboxylate
PubChem CID57045191
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Nameethyl 6-methyl-1,4-dioxa-9-azaspiro[4.5]decane-9-carboxylate
SMILESCCOC(=O)N1CCC(C)C2(C1)OCCO2
InChIInChI=1S/C11H19NO4/c1-3-14-10(13)12-5-4-9(2)11(8-12)15-6-7-16-11/h9H,3-8H2,1-2H3
InChIKeyYYQMVKTUNHLZEC-UHFFFAOYSA-N
XLogP1.23
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-methyl-1,4-dioxa-9-azaspiro[4.5]decane-9-carboxylate?
The IUPAC name of ethyl 6-methyl-1,4-dioxa-9-azaspiro[4.5]decane-9-carboxylate (CID 57045191) is ethyl 6-methyl-1,4-dioxa-9-azaspiro[4.5]decane-9-carboxylate.
What is the SMILES notation for ethyl 6-methyl-1,4-dioxa-9-azaspiro[4.5]decane-9-carboxylate?
The canonical SMILES for ethyl 6-methyl-1,4-dioxa-9-azaspiro[4.5]decane-9-carboxylate is CCOC(=O)N1CCC(C)C2(C1)OCCO2.
What is the InChIKey of ethyl 6-methyl-1,4-dioxa-9-azaspiro[4.5]decane-9-carboxylate?
The InChIKey is YYQMVKTUNHLZEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-3-14-10(13)12-5-4-9(2)11(8-12)15-6-7-16-11/h9H,3-8H2,1-2H3.
What are the key properties of ethyl 6-methyl-1,4-dioxa-9-azaspiro[4.5]decane-9-carboxylate?
ethyl 6-methyl-1,4-dioxa-9-azaspiro[4.5]decane-9-carboxylate has a molecular weight of 229.28 g/mol, XLogP of 1.23, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-methyl-1,4-dioxa-9-azaspiro[4.5]decane-9-carboxylate is sourced from PubChem (CID 57045191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).