ethyl 2-methoxy-5-methyl-3-(2-methylpropyl)-2,3-dihydrofuran-4-carboxylate

C13H22O4 — CID 25100014

IUPACethyl 2-methoxy-5-methyl-3-(2-methylpropyl)-2,3-dihydrofuran-4-carboxylate
SMILESCCOC(=O)C1=C(C)OC(OC)C1CC(C)C
InChIInChI=1S/C13H22O4/c1-6-16-12(14)11-9(4)17-13(15-5)10(11)7-8(2)3/h8,10,13H,6-7H2,1-5H3
InChIKeyGMOJEFOEFJWYMA-UHFFFAOYSA-N
MW242.31 g/mol
LogP2.49
Rot. Bonds5

About ethyl 2-methoxy-5-methyl-3-(2-methylpropyl)-2,3-dihydrofuran-4-carboxylate

ethyl 2-methoxy-5-methyl-3-(2-methylpropyl)-2,3-dihydrofuran-4-carboxylate (PubChem CID 25100014) has the molecular formula C13H22O4 and a molecular weight of 242.31 g/mol. Its IUPAC name is ethyl 2-methoxy-5-methyl-3-(2-methylpropyl)-2,3-dihydrofuran-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-methoxy-5-methyl-3-(2-methylpropyl)-2,3-dihydrofuran-4-carboxylate
PubChem CID25100014
Molecular FormulaC13H22O4
Molecular Weight242.31 g/mol
Exact Mass242.15
IUPAC Nameethyl 2-methoxy-5-methyl-3-(2-methylpropyl)-2,3-dihydrofuran-4-carboxylate
SMILESCCOC(=O)C1=C(C)OC(OC)C1CC(C)C
InChIInChI=1S/C13H22O4/c1-6-16-12(14)11-9(4)17-13(15-5)10(11)7-8(2)3/h8,10,13H,6-7H2,1-5H3
InChIKeyGMOJEFOEFJWYMA-UHFFFAOYSA-N
XLogP2.49
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 4,5-dihydro-5-methoxy-2,4-dimethyl-3-furancarboxylate
CID 3079047
methyl 2-methyl-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran-3-carboxylate
CID 11159928
methyl (2R,4R)-2-ethoxy-6-methyl-4-(2-methylpropyl)-3,4-dihydro-2H-pyran-5-carboxylate
CID 11807295
methyl (2R,4S)-2-ethoxy-6-methyl-4-(2-methylpropyl)-3,4-dihydro-2H-pyran-5-carboxylate
CID 102506610
5-Isopropyl-3-carbethoxy-2,5-dimethyl-4,5-dihydrofuran
CID 129796787
ethyl (2Z)-2-[1-(methoxymethoxy)ethylidene]hexanoate
CID 134932836
Ethyl 2-(methoxymethoxy)cyclopentene-1-carboxylate
CID 134986294
methyl 3-[(2S)-2-ethoxy-3,4-dimethyl-5-oxofuran-2-yl]propanoate
CID 162939942
ethyl 2-methyl-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran-3-carboxylate
CID 12789038
ethyl 2-ethyl-2,5-dimethyl-3H-furan-4-carboxylate
CID 20191537
methyl 2-ethyl-2,5-dimethyl-3H-furan-4-carboxylate
CID 20191540
Ethyl 2-ethyl-5-(3-methylbutyl)-2,3-dihydrofuran-4-carboxylate
CID 20191543

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methoxy-5-methyl-3-(2-methylpropyl)-2,3-dihydrofuran-4-carboxylate?
The IUPAC name of ethyl 2-methoxy-5-methyl-3-(2-methylpropyl)-2,3-dihydrofuran-4-carboxylate (CID 25100014) is ethyl 2-methoxy-5-methyl-3-(2-methylpropyl)-2,3-dihydrofuran-4-carboxylate.
What is the SMILES notation for ethyl 2-methoxy-5-methyl-3-(2-methylpropyl)-2,3-dihydrofuran-4-carboxylate?
The canonical SMILES for ethyl 2-methoxy-5-methyl-3-(2-methylpropyl)-2,3-dihydrofuran-4-carboxylate is CCOC(=O)C1=C(C)OC(OC)C1CC(C)C.
What is the InChIKey of ethyl 2-methoxy-5-methyl-3-(2-methylpropyl)-2,3-dihydrofuran-4-carboxylate?
The InChIKey is GMOJEFOEFJWYMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O4/c1-6-16-12(14)11-9(4)17-13(15-5)10(11)7-8(2)3/h8,10,13H,6-7H2,1-5H3.
What are the key properties of ethyl 2-methoxy-5-methyl-3-(2-methylpropyl)-2,3-dihydrofuran-4-carboxylate?
ethyl 2-methoxy-5-methyl-3-(2-methylpropyl)-2,3-dihydrofuran-4-carboxylate has a molecular weight of 242.31 g/mol, XLogP of 2.49, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methoxy-5-methyl-3-(2-methylpropyl)-2,3-dihydrofuran-4-carboxylate is sourced from PubChem (CID 25100014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).