ethyl 2-methoxy-3,5-dimethyl-2,3-dihydrofuran-4-carboxylate

C10H16O4 — CID 3079047

IUPACethyl 2-methoxy-3,5-dimethyl-2,3-dihydrofuran-4-carboxylate
SMILESCCOC(=O)C1=C(C)OC(OC)C1C
InChIInChI=1S/C10H16O4/c1-5-13-9(11)8-6(2)10(12-4)14-7(8)3/h6,10H,5H2,1-4H3
InChIKeySKLDKBXYRHEONV-UHFFFAOYSA-N
MW200.23 g/mol
LogP1.46
Rot. Bonds3

About ethyl 2-methoxy-3,5-dimethyl-2,3-dihydrofuran-4-carboxylate

ethyl 2-methoxy-3,5-dimethyl-2,3-dihydrofuran-4-carboxylate (PubChem CID 3079047) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is ethyl 2-methoxy-3,5-dimethyl-2,3-dihydrofuran-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-methoxy-3,5-dimethyl-2,3-dihydrofuran-4-carboxylate
PubChem CID3079047
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Nameethyl 2-methoxy-3,5-dimethyl-2,3-dihydrofuran-4-carboxylate
SMILESCCOC(=O)C1=C(C)OC(OC)C1C
InChIInChI=1S/C10H16O4/c1-5-13-9(11)8-6(2)10(12-4)14-7(8)3/h6,10H,5H2,1-4H3
InChIKeySKLDKBXYRHEONV-UHFFFAOYSA-N
XLogP1.46
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-methoxy-3,5-dimethyl-2,3-dihydrofuran-4-carboxylate?
The IUPAC name of ethyl 2-methoxy-3,5-dimethyl-2,3-dihydrofuran-4-carboxylate (CID 3079047) is ethyl 2-methoxy-3,5-dimethyl-2,3-dihydrofuran-4-carboxylate.
What is the SMILES notation for ethyl 2-methoxy-3,5-dimethyl-2,3-dihydrofuran-4-carboxylate?
The canonical SMILES for ethyl 2-methoxy-3,5-dimethyl-2,3-dihydrofuran-4-carboxylate is CCOC(=O)C1=C(C)OC(OC)C1C.
What is the InChIKey of ethyl 2-methoxy-3,5-dimethyl-2,3-dihydrofuran-4-carboxylate?
The InChIKey is SKLDKBXYRHEONV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4/c1-5-13-9(11)8-6(2)10(12-4)14-7(8)3/h6,10H,5H2,1-4H3.
What are the key properties of ethyl 2-methoxy-3,5-dimethyl-2,3-dihydrofuran-4-carboxylate?
ethyl 2-methoxy-3,5-dimethyl-2,3-dihydrofuran-4-carboxylate has a molecular weight of 200.23 g/mol, XLogP of 1.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methoxy-3,5-dimethyl-2,3-dihydrofuran-4-carboxylate is sourced from PubChem (CID 3079047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).