ethyl 2-(2-methoxy-2-oxoethyl)-3-methyloxirane-2-carboxylate

C9H14O5 — CID 10081554

IUPACethyl 2-(2-methoxy-2-oxoethyl)-3-methyloxirane-2-carboxylate
SMILESCCOC(=O)C1(CC(=O)OC)OC1C
InChIInChI=1S/C9H14O5/c1-4-13-8(11)9(6(2)14-9)5-7(10)12-3/h6H,4-5H2,1-3H3
InChIKeyZMTGCFOHCCDJPG-UHFFFAOYSA-N
MW202.21 g/mol
LogP0.27
Rot. Bonds4

About ethyl 2-(2-methoxy-2-oxoethyl)-3-methyloxirane-2-carboxylate

ethyl 2-(2-methoxy-2-oxoethyl)-3-methyloxirane-2-carboxylate (PubChem CID 10081554) has the molecular formula C9H14O5 and a molecular weight of 202.21 g/mol. Its IUPAC name is ethyl 2-(2-methoxy-2-oxoethyl)-3-methyloxirane-2-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2-methoxy-2-oxoethyl)-3-methyloxirane-2-carboxylate
PubChem CID10081554
Molecular FormulaC9H14O5
Molecular Weight202.21 g/mol
Exact Mass202.08
IUPAC Nameethyl 2-(2-methoxy-2-oxoethyl)-3-methyloxirane-2-carboxylate
SMILESCCOC(=O)C1(CC(=O)OC)OC1C
InChIInChI=1S/C9H14O5/c1-4-13-8(11)9(6(2)14-9)5-7(10)12-3/h6H,4-5H2,1-3H3
InChIKeyZMTGCFOHCCDJPG-UHFFFAOYSA-N
XLogP0.27
TPSA65.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 50.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-(6-methoxy-6-oxohexyl)-3-methyloxirane-2-carboxylate
CID 10061059
ethyl (2S,3R)-2,3-dimethyloxirane-2-carboxylate
CID 45090035
diethyl propanedioate;3-O-ethyl 1-O-methyl propanedioate
CID 91497468
methyl 2-(1-ethoxyethylideneamino)acetate
CID 10986527
ethyl 3-(2-ethoxy-2-oxoethyl)spiro[3a,4,5,6-tetrahydro-2,1-benzoxazole-7,1'-cyclopropane]-3-carboxylate
CID 58641480
2-O'-ethyl 2-O-methyl 1-methoxyaziridine-2,2-dicarboxylate
CID 593823
4-O-ethyl 1-O-methyl butanedioate
CID 522068
methyl 1-(2-methoxy-2-oxoethyl)-2-methylcyclopropane-1-carboxylate
CID 102304411
diethyl propanedioate;ethyl 3-oxobutanoate;methyl 3-oxobutanoate
CID 162260175
ethyl (2S,3R)-2-ethyl-3-(4-methoxyphenyl)oxirane-2-carboxylate
CID 793344
methyl 2-(1-amino-3-ethoxycyclobutyl)acetate
CID 106824251
ethyl (2R,3R,4R,5R)-2,3,4-trihydroxy-5-methyloxolane-2-carboxylate
CID 143865006

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-methoxy-2-oxoethyl)-3-methyloxirane-2-carboxylate?
The IUPAC name of ethyl 2-(2-methoxy-2-oxoethyl)-3-methyloxirane-2-carboxylate (CID 10081554) is ethyl 2-(2-methoxy-2-oxoethyl)-3-methyloxirane-2-carboxylate.
What is the SMILES notation for ethyl 2-(2-methoxy-2-oxoethyl)-3-methyloxirane-2-carboxylate?
The canonical SMILES for ethyl 2-(2-methoxy-2-oxoethyl)-3-methyloxirane-2-carboxylate is CCOC(=O)C1(CC(=O)OC)OC1C.
What is the InChIKey of ethyl 2-(2-methoxy-2-oxoethyl)-3-methyloxirane-2-carboxylate?
The InChIKey is ZMTGCFOHCCDJPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O5/c1-4-13-8(11)9(6(2)14-9)5-7(10)12-3/h6H,4-5H2,1-3H3.
What are the key properties of ethyl 2-(2-methoxy-2-oxoethyl)-3-methyloxirane-2-carboxylate?
ethyl 2-(2-methoxy-2-oxoethyl)-3-methyloxirane-2-carboxylate has a molecular weight of 202.21 g/mol, XLogP of 0.27, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-methoxy-2-oxoethyl)-3-methyloxirane-2-carboxylate is sourced from PubChem (CID 10081554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).