methyl 2-ethoxy-6-methyl-2,3-dihydro-1,4-oxathiine-5-carboxylate

C9H14O4S — CID 10398480

IUPACmethyl 2-ethoxy-6-methyl-2,3-dihydro-1,4-oxathiine-5-carboxylate
SMILESCCOC1CSC(C(=O)OC)=C(C)O1
InChIInChI=1S/C9H14O4S/c1-4-12-7-5-14-8(6(2)13-7)9(10)11-3/h7H,4-5H2,1-3H3
InChIKeyZIEUYJAZPDUWNE-UHFFFAOYSA-N
MW218.27 g/mol
LogP1.52
Rot. Bonds3

About methyl 2-ethoxy-6-methyl-2,3-dihydro-1,4-oxathiine-5-carboxylate

methyl 2-ethoxy-6-methyl-2,3-dihydro-1,4-oxathiine-5-carboxylate (PubChem CID 10398480) has the molecular formula C9H14O4S and a molecular weight of 218.27 g/mol. Its IUPAC name is methyl 2-ethoxy-6-methyl-2,3-dihydro-1,4-oxathiine-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-ethoxy-6-methyl-2,3-dihydro-1,4-oxathiine-5-carboxylate
PubChem CID10398480
Molecular FormulaC9H14O4S
Molecular Weight218.27 g/mol
Exact Mass218.06
IUPAC Namemethyl 2-ethoxy-6-methyl-2,3-dihydro-1,4-oxathiine-5-carboxylate
SMILESCCOC1CSC(C(=O)OC)=C(C)O1
InChIInChI=1S/C9H14O4S/c1-4-12-7-5-14-8(6(2)13-7)9(10)11-3/h7H,4-5H2,1-3H3
InChIKeyZIEUYJAZPDUWNE-UHFFFAOYSA-N
XLogP1.52
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.27
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-Methyl-3-ethoxycarbonyl-5,6-dihydro-1,4-oxathiine
CID 540271
Methyl 2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxylate
CID 540125
ethyl (2S,4S)-2-ethoxy-6-methyl-4-oxo-2,3-dihydro-1,4-oxathiine-5-carboxylate
CID 134877245
Ethyl 3-acetyloxy-6-methyl-2,3-dihydro-1,4-oxathiine-5-carboxylate
CID 134892391
1,4-Oxathiin-3-carboxylicacid, 6-ethoxy-5,6-dihydro-2-methyl-
CID 10798232
prop-2-enyl (2S,4R)-2-ethoxy-6-methyl-4-oxo-2,3-dihydro-1,4-oxathiine-5-carboxylate
CID 10706463
Prop-2-enyl 2-ethoxy-6-methyl-2,3-dihydro-1,4-oxathiine-5-carboxylate
CID 10824199
Prop-2-enyl 2-ethoxy-6-methyl-4-oxo-2,3-dihydro-1,4-oxathiine-5-carboxylate
CID 15880875
Methyl 2-butoxy-6-methyl-2,3-dihydro-1,4-oxathiine-5-carboxylate
CID 102396776
methyl (4aR,7aR)-3-methyl-4a,6,7,7a-tetrahydrofuro[2,3-b][1,4]oxathiine-2-carboxylate
CID 102396777

Frequently Asked Questions

What is the IUPAC name of methyl 2-ethoxy-6-methyl-2,3-dihydro-1,4-oxathiine-5-carboxylate?
The IUPAC name of methyl 2-ethoxy-6-methyl-2,3-dihydro-1,4-oxathiine-5-carboxylate (CID 10398480) is methyl 2-ethoxy-6-methyl-2,3-dihydro-1,4-oxathiine-5-carboxylate.
What is the SMILES notation for methyl 2-ethoxy-6-methyl-2,3-dihydro-1,4-oxathiine-5-carboxylate?
The canonical SMILES for methyl 2-ethoxy-6-methyl-2,3-dihydro-1,4-oxathiine-5-carboxylate is CCOC1CSC(C(=O)OC)=C(C)O1.
What is the InChIKey of methyl 2-ethoxy-6-methyl-2,3-dihydro-1,4-oxathiine-5-carboxylate?
The InChIKey is ZIEUYJAZPDUWNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O4S/c1-4-12-7-5-14-8(6(2)13-7)9(10)11-3/h7H,4-5H2,1-3H3.
What are the key properties of methyl 2-ethoxy-6-methyl-2,3-dihydro-1,4-oxathiine-5-carboxylate?
methyl 2-ethoxy-6-methyl-2,3-dihydro-1,4-oxathiine-5-carboxylate has a molecular weight of 218.27 g/mol, XLogP of 1.52, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-ethoxy-6-methyl-2,3-dihydro-1,4-oxathiine-5-carboxylate is sourced from PubChem (CID 10398480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).