ethyl 8-cyclohexyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylate

C17H27NO3 — CID 67315792

IUPACethyl 8-cyclohexyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylate
SMILESCCOC(=O)C1=NOC2(CCC(C3CCCCC3)CC2)C1
InChIInChI=1S/C17H27NO3/c1-2-20-16(19)15-12-17(21-18-15)10-8-14(9-11-17)13-6-4-3-5-7-13/h13-14H,2-12H2,1H3
InChIKeyIOCNHTMTJZHTOY-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.84
Rot. Bonds3

About ethyl 8-cyclohexyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylate

ethyl 8-cyclohexyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylate (PubChem CID 67315792) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is ethyl 8-cyclohexyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylate.

Molecular Properties

Compound Nameethyl 8-cyclohexyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylate
PubChem CID67315792
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Nameethyl 8-cyclohexyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylate
SMILESCCOC(=O)C1=NOC2(CCC(C3CCCCC3)CC2)C1
InChIInChI=1S/C17H27NO3/c1-2-20-16(19)15-12-17(21-18-15)10-8-14(9-11-17)13-6-4-3-5-7-13/h13-14H,2-12H2,1H3
InChIKeyIOCNHTMTJZHTOY-UHFFFAOYSA-N
XLogP3.84
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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 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-(2-methylbutan-2-yl)-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylate
CID 67316295
8-Cyclohexyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid
CID 67317763
ethyl 5,5-dicyclohexyl-4H-1,2-oxazole-3-carboxylate
CID 140446953
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
ethyl 3-(5-cyclopropyl-3-ethyl-4H-1,2-oxazol-5-yl)propanoate
CID 169649108
Ethyl 3a,4,5,6,7,8,9,10,11,12,13,13a-dodecahydrocyclododeca[d]isoxazole-3-carboxylate
CID 13154690
ethyl (3aR,13aS)-3a,4,5,6,7,8,9,10,11,12,13,13a-dodecahydrocyclododeca[d][1,2]oxazole-3-carboxylate
CID 95987946

Frequently Asked Questions

What is the IUPAC name of ethyl 8-cyclohexyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylate?
The IUPAC name of ethyl 8-cyclohexyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylate (CID 67315792) is ethyl 8-cyclohexyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylate.
What is the SMILES notation for ethyl 8-cyclohexyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylate?
The canonical SMILES for ethyl 8-cyclohexyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylate is CCOC(=O)C1=NOC2(CCC(C3CCCCC3)CC2)C1.
What is the InChIKey of ethyl 8-cyclohexyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylate?
The InChIKey is IOCNHTMTJZHTOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-2-20-16(19)15-12-17(21-18-15)10-8-14(9-11-17)13-6-4-3-5-7-13/h13-14H,2-12H2,1H3.
What are the key properties of ethyl 8-cyclohexyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylate?
ethyl 8-cyclohexyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylate has a molecular weight of 293.41 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-cyclohexyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylate is sourced from PubChem (CID 67315792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).