ethyl 8-(2-methylbutan-2-yl)-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylate

C16H27NO3 — CID 67316295

IUPACethyl 8-(2-methylbutan-2-yl)-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylate
SMILESCCOC(=O)C1=NOC2(CCC(C(C)(C)CC)CC2)C1
InChIInChI=1S/C16H27NO3/c1-5-15(3,4)12-7-9-16(10-8-12)11-13(17-20-16)14(18)19-6-2/h12H,5-11H2,1-4H3
InChIKeyLFRWOODBGBSUAQ-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.69
Rot. Bonds4

About ethyl 8-(2-methylbutan-2-yl)-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylate

ethyl 8-(2-methylbutan-2-yl)-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylate (PubChem CID 67316295) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is ethyl 8-(2-methylbutan-2-yl)-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylate.

Molecular Properties

Compound Nameethyl 8-(2-methylbutan-2-yl)-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylate
PubChem CID67316295
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Nameethyl 8-(2-methylbutan-2-yl)-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylate
SMILESCCOC(=O)C1=NOC2(CCC(C(C)(C)CC)CC2)C1
InChIInChI=1S/C16H27NO3/c1-5-15(3,4)12-7-9-16(10-8-12)11-13(17-20-16)14(18)19-6-2/h12H,5-11H2,1-4H3
InChIKeyLFRWOODBGBSUAQ-UHFFFAOYSA-N
XLogP3.69
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (2E)-4-tert-butyl-2-hydroxyiminocyclohexane-1-carboxylate
CID 134974398
Ethyl 8-formyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylate
CID 54042523
8-Tert-butyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid
CID 57951449
8-Tert-butyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid ethyl ester
CID 57951451
Ethyl 1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylate
CID 59280111
Ethyl 5-cyclohexyl-4,5-dihydroisoxazole-3-carboxylate
CID 66831757
Ethyl 8-cyclohexyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylate
CID 67315792
8-(2-Methylbutan-2-yl)-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid
CID 67316341
ethyl 5,5-dicyclohexyl-4H-1,2-oxazole-3-carboxylate
CID 140446953
ethyl (2E)-2-(4-tert-butylcyclohexyl)oxyiminobutanoate
CID 143372888
ethyl 4-[(E)-N-(1,3-dimethylcyclopentyl)oxy-C-methylcarbonimidoyl]cyclohexane-1-carboxylate
CID 144277312
8-Tert-butyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid;ethyl 8-tert-butyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylate
CID 162179898

Frequently Asked Questions

What is the IUPAC name of ethyl 8-(2-methylbutan-2-yl)-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylate?
The IUPAC name of ethyl 8-(2-methylbutan-2-yl)-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylate (CID 67316295) is ethyl 8-(2-methylbutan-2-yl)-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylate.
What is the SMILES notation for ethyl 8-(2-methylbutan-2-yl)-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylate?
The canonical SMILES for ethyl 8-(2-methylbutan-2-yl)-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylate is CCOC(=O)C1=NOC2(CCC(C(C)(C)CC)CC2)C1.
What is the InChIKey of ethyl 8-(2-methylbutan-2-yl)-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylate?
The InChIKey is LFRWOODBGBSUAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-5-15(3,4)12-7-9-16(10-8-12)11-13(17-20-16)14(18)19-6-2/h12H,5-11H2,1-4H3.
What are the key properties of ethyl 8-(2-methylbutan-2-yl)-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylate?
ethyl 8-(2-methylbutan-2-yl)-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylate has a molecular weight of 281.40 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-(2-methylbutan-2-yl)-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylate is sourced from PubChem (CID 67316295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).