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

C10H15IO3 — CID 11001381

IUPACmethyl 2-(2-iodopropan-2-yl)-5-methyl-2,3-dihydrofuran-4-carboxylate
SMILESCOC(=O)C1=C(C)OC(C(C)(C)I)C1
InChIInChI=1S/C10H15IO3/c1-6-7(9(12)13-4)5-8(14-6)10(2,3)11/h8H,5H2,1-4H3
InChIKeyGHNVSQTYXBEEHO-UHFFFAOYSA-N
MW310.13 g/mol
LogP2.44
Rot. Bonds2

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

methyl 2-(2-iodopropan-2-yl)-5-methyl-2,3-dihydrofuran-4-carboxylate (PubChem CID 11001381) has the molecular formula C10H15IO3 and a molecular weight of 310.13 g/mol. Its IUPAC name is methyl 2-(2-iodopropan-2-yl)-5-methyl-2,3-dihydrofuran-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2-iodopropan-2-yl)-5-methyl-2,3-dihydrofuran-4-carboxylate
PubChem CID11001381
Molecular FormulaC10H15IO3
Molecular Weight310.13 g/mol
Exact Mass310.01
IUPAC Namemethyl 2-(2-iodopropan-2-yl)-5-methyl-2,3-dihydrofuran-4-carboxylate
SMILESCOC(=O)C1=C(C)OC(C(C)(C)I)C1
InChIInChI=1S/C10H15IO3/c1-6-7(9(12)13-4)5-8(14-6)10(2,3)11/h8H,5H2,1-4H3
InChIKeyGHNVSQTYXBEEHO-UHFFFAOYSA-N
XLogP2.44
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.13
LogP ≤ 52.44
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, 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
5-Isopropyl-3-carbethoxy-2,5-dimethyl-4,5-dihydrofuran
CID 129796787
Ethyl 5-ethyl-2-(iodomethyl)-2,3-dihydrofuran-4-carboxylate
CID 178252099
Ethyl 2,5-Dimethyl-4,5-Dihydrofuran-3-Carboxylate
CID 12668565
Ethyl 5-methyl-2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylate
CID 14113980
Propan-2-yl 2-ethyl-5-methyl-2,3-dihydrofuran-4-carboxylate
CID 20191511
Propyl 2-ethyl-5-methyl-2,3-dihydrofuran-4-carboxylate
CID 20191514
4-Carbethoxy-2-ethyl-5-pentyl-2,3-dihydrofuran
CID 20191515
Methyl 2-ethyl-5-pentyl-2,3-dihydrofuran-4-carboxylate
CID 20191532
Ethyl 2-ethyl-5-propan-2-yl-2,3-dihydrofuran-4-carboxylate
CID 20191533

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-iodopropan-2-yl)-5-methyl-2,3-dihydrofuran-4-carboxylate?
The IUPAC name of methyl 2-(2-iodopropan-2-yl)-5-methyl-2,3-dihydrofuran-4-carboxylate (CID 11001381) is methyl 2-(2-iodopropan-2-yl)-5-methyl-2,3-dihydrofuran-4-carboxylate.
What is the SMILES notation for methyl 2-(2-iodopropan-2-yl)-5-methyl-2,3-dihydrofuran-4-carboxylate?
The canonical SMILES for methyl 2-(2-iodopropan-2-yl)-5-methyl-2,3-dihydrofuran-4-carboxylate is COC(=O)C1=C(C)OC(C(C)(C)I)C1.
What is the InChIKey of methyl 2-(2-iodopropan-2-yl)-5-methyl-2,3-dihydrofuran-4-carboxylate?
The InChIKey is GHNVSQTYXBEEHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15IO3/c1-6-7(9(12)13-4)5-8(14-6)10(2,3)11/h8H,5H2,1-4H3.
What are the key properties of methyl 2-(2-iodopropan-2-yl)-5-methyl-2,3-dihydrofuran-4-carboxylate?
methyl 2-(2-iodopropan-2-yl)-5-methyl-2,3-dihydrofuran-4-carboxylate has a molecular weight of 310.13 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-iodopropan-2-yl)-5-methyl-2,3-dihydrofuran-4-carboxylate is sourced from PubChem (CID 11001381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).