ethyl 1-(4,4,6-trimethyl-1,3-oxazinan-2-yl)cyclopropane-1-carboxylate

C13H23NO3 — CID 86716165

IUPACethyl 1-(4,4,6-trimethyl-1,3-oxazinan-2-yl)cyclopropane-1-carboxylate
SMILESCCOC(=O)C1(C2NC(C)(C)CC(C)O2)CC1
InChIInChI=1S/C13H23NO3/c1-5-16-11(15)13(6-7-13)10-14-12(3,4)8-9(2)17-10/h9-10,14H,5-8H2,1-4H3
InChIKeyPFINTFVJOUAOSH-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.83
Rot. Bonds3

About ethyl 1-(4,4,6-trimethyl-1,3-oxazinan-2-yl)cyclopropane-1-carboxylate

ethyl 1-(4,4,6-trimethyl-1,3-oxazinan-2-yl)cyclopropane-1-carboxylate (PubChem CID 86716165) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is ethyl 1-(4,4,6-trimethyl-1,3-oxazinan-2-yl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-(4,4,6-trimethyl-1,3-oxazinan-2-yl)cyclopropane-1-carboxylate
PubChem CID86716165
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Nameethyl 1-(4,4,6-trimethyl-1,3-oxazinan-2-yl)cyclopropane-1-carboxylate
SMILESCCOC(=O)C1(C2NC(C)(C)CC(C)O2)CC1
InChIInChI=1S/C13H23NO3/c1-5-16-11(15)13(6-7-13)10-14-12(3,4)8-9(2)17-10/h9-10,14H,5-8H2,1-4H3
InChIKeyPFINTFVJOUAOSH-UHFFFAOYSA-N
XLogP1.83
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-(4-methyl-1,3-dioxetan-2-yl)cyclopropane-1-carboxylate
CID 67962947
ethyl 3-methyl-2-(4,4,6-trimethyl-1,3-oxazinan-2-yl)but-3-enoate
CID 70473913
ethyl 2-methyl-7-oxabicyclo[2.2.1]heptane-2-carboxylate
CID 130627068
ethyl (3aR,6aS)-2-ethoxy-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-carboxylate
CID 11746379
ethyl 1-piperidin-4-ylcyclopropane-1-carboxylate;hydrochloride
CID 131964099
diethyl 1,2,3-trimethylcyclopentane-1,3-dicarboxylate
CID 143831911
ethyl 2-methylbicyclo[2.2.1]heptane-1-carboxylate
CID 154478235
ethyl (2S,3S,5S)-2,5-dimethyl-1,6-dioxaspiro[2.5]octane-2-carboxylate
CID 6543232
ethyl (2S,3R)-2,3-dimethyloxirane-2-carboxylate
CID 45090035
ethyl (1S,3R)-3-carbonochloridoylbicyclo[2.2.0]hexane-1-carboxylate
CID 130446235
ethyl 3-oxabicyclo[3.1.0]hexane-1-carboxylate
CID 123179278
ethyl 9-hydroxy-3-azabicyclo[3.3.1]nonane-1-carboxylate
CID 155893446

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(4,4,6-trimethyl-1,3-oxazinan-2-yl)cyclopropane-1-carboxylate?
The IUPAC name of ethyl 1-(4,4,6-trimethyl-1,3-oxazinan-2-yl)cyclopropane-1-carboxylate (CID 86716165) is ethyl 1-(4,4,6-trimethyl-1,3-oxazinan-2-yl)cyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 1-(4,4,6-trimethyl-1,3-oxazinan-2-yl)cyclopropane-1-carboxylate?
The canonical SMILES for ethyl 1-(4,4,6-trimethyl-1,3-oxazinan-2-yl)cyclopropane-1-carboxylate is CCOC(=O)C1(C2NC(C)(C)CC(C)O2)CC1.
What is the InChIKey of ethyl 1-(4,4,6-trimethyl-1,3-oxazinan-2-yl)cyclopropane-1-carboxylate?
The InChIKey is PFINTFVJOUAOSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-5-16-11(15)13(6-7-13)10-14-12(3,4)8-9(2)17-10/h9-10,14H,5-8H2,1-4H3.
What are the key properties of ethyl 1-(4,4,6-trimethyl-1,3-oxazinan-2-yl)cyclopropane-1-carboxylate?
ethyl 1-(4,4,6-trimethyl-1,3-oxazinan-2-yl)cyclopropane-1-carboxylate has a molecular weight of 241.33 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(4,4,6-trimethyl-1,3-oxazinan-2-yl)cyclopropane-1-carboxylate is sourced from PubChem (CID 86716165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).