ethyl 2-(2-iodopropan-2-yl)-5-methyl-2,3-dihydrofuran-4-carboxylate

C11H17IO3 — CID 11045557

IUPACethyl 2-(2-iodopropan-2-yl)-5-methyl-2,3-dihydrofuran-4-carboxylate
SMILESCCOC(=O)C1=C(C)OC(C(C)(C)I)C1
InChIInChI=1S/C11H17IO3/c1-5-14-10(13)8-6-9(11(3,4)12)15-7(8)2/h9H,5-6H2,1-4H3
InChIKeyDTWJUPOIUMGWEZ-UHFFFAOYSA-N
MW324.16 g/mol
LogP2.83
Rot. Bonds3

About ethyl 2-(2-iodopropan-2-yl)-5-methyl-2,3-dihydrofuran-4-carboxylate

ethyl 2-(2-iodopropan-2-yl)-5-methyl-2,3-dihydrofuran-4-carboxylate (PubChem CID 11045557) has the molecular formula C11H17IO3 and a molecular weight of 324.16 g/mol. Its IUPAC name is ethyl 2-(2-iodopropan-2-yl)-5-methyl-2,3-dihydrofuran-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2-iodopropan-2-yl)-5-methyl-2,3-dihydrofuran-4-carboxylate
PubChem CID11045557
Molecular FormulaC11H17IO3
Molecular Weight324.16 g/mol
Exact Mass324.02
IUPAC Nameethyl 2-(2-iodopropan-2-yl)-5-methyl-2,3-dihydrofuran-4-carboxylate
SMILESCCOC(=O)C1=C(C)OC(C(C)(C)I)C1
InChIInChI=1S/C11H17IO3/c1-5-14-10(13)8-6-9(11(3,4)12)15-7(8)2/h9H,5-6H2,1-4H3
InChIKeyDTWJUPOIUMGWEZ-UHFFFAOYSA-N
XLogP2.83
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.16
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

3-Furancarboxylic acid, 4,5-dihydro-2-methyl-5-propyl-, ethyl ester
CID 86111
3-Furancarboxylic acid, 5-ethyl-4,5-dihydro-2-methyl-, ethyl ester
CID 113476
2(3H)-Furanone, dihydro-5-(1-methylethyl)-3-(1-methylethylidene)-
CID 188459
3-Carbethoxy-2,5-dimethyl-5-isopropenyl-4,5-dihydrofuran
CID 13413057
methyl (3S,4S)-4-ethoxy-3-methylcyclopentene-1-carboxylate
CID 101625429
5-Isopropyl-3-carbethoxy-2,5-dimethyl-4,5-dihydrofuran
CID 129796787
Ethyl 5-ethyl-2-(iodomethyl)-2,3-dihydrofuran-4-carboxylate
CID 178252099
methyl (3R,4R)-4-ethoxy-3-methylcyclopentene-1-carboxylate
CID 10655083
2-Butyl-4-carbethoxy-5-methyl-2,3-dihydrofuran
CID 11052969
ethyl 2,2,5-trimethyl-3H-furan-4-carboxylate
CID 12838709
Ethyl 5-methyl-2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylate
CID 14113980
Methyl 2-butyl-5-methyl-2,3-dihydrofuran-4-carboxylate
CID 14895394

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-iodopropan-2-yl)-5-methyl-2,3-dihydrofuran-4-carboxylate?
The IUPAC name of ethyl 2-(2-iodopropan-2-yl)-5-methyl-2,3-dihydrofuran-4-carboxylate (CID 11045557) is ethyl 2-(2-iodopropan-2-yl)-5-methyl-2,3-dihydrofuran-4-carboxylate.
What is the SMILES notation for ethyl 2-(2-iodopropan-2-yl)-5-methyl-2,3-dihydrofuran-4-carboxylate?
The canonical SMILES for ethyl 2-(2-iodopropan-2-yl)-5-methyl-2,3-dihydrofuran-4-carboxylate is CCOC(=O)C1=C(C)OC(C(C)(C)I)C1.
What is the InChIKey of ethyl 2-(2-iodopropan-2-yl)-5-methyl-2,3-dihydrofuran-4-carboxylate?
The InChIKey is DTWJUPOIUMGWEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17IO3/c1-5-14-10(13)8-6-9(11(3,4)12)15-7(8)2/h9H,5-6H2,1-4H3.
What are the key properties of ethyl 2-(2-iodopropan-2-yl)-5-methyl-2,3-dihydrofuran-4-carboxylate?
ethyl 2-(2-iodopropan-2-yl)-5-methyl-2,3-dihydrofuran-4-carboxylate has a molecular weight of 324.16 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-iodopropan-2-yl)-5-methyl-2,3-dihydrofuran-4-carboxylate is sourced from PubChem (CID 11045557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).