methyl (2R,3R)-2-(iodomethyl)-5-methyl-3-propyl-2,3-dihydrofuran-4-carboxylate

C11H17IO3 — CID 11438706

IUPACmethyl (2R,3R)-2-(iodomethyl)-5-methyl-3-propyl-2,3-dihydrofuran-4-carboxylate
SMILESCCC[C@@H]1C(C(=O)OC)=C(C)O[C@H]1CI
InChIInChI=1S/C11H17IO3/c1-4-5-8-9(6-12)15-7(2)10(8)11(13)14-3/h8-9H,4-6H2,1-3H3/t8-,9-/m0/s1
InChIKeyNALMKYORIXVZSB-IUCAKERBSA-N
MW324.16 g/mol
LogP2.68
Rot. Bonds4

About methyl (2R,3R)-2-(iodomethyl)-5-methyl-3-propyl-2,3-dihydrofuran-4-carboxylate

methyl (2R,3R)-2-(iodomethyl)-5-methyl-3-propyl-2,3-dihydrofuran-4-carboxylate (PubChem CID 11438706) has the molecular formula C11H17IO3 and a molecular weight of 324.16 g/mol. Its IUPAC name is methyl (2R,3R)-2-(iodomethyl)-5-methyl-3-propyl-2,3-dihydrofuran-4-carboxylate.

Molecular Properties

Compound Namemethyl (2R,3R)-2-(iodomethyl)-5-methyl-3-propyl-2,3-dihydrofuran-4-carboxylate
PubChem CID11438706
Molecular FormulaC11H17IO3
Molecular Weight324.16 g/mol
Exact Mass324.02
IUPAC Namemethyl (2R,3R)-2-(iodomethyl)-5-methyl-3-propyl-2,3-dihydrofuran-4-carboxylate
SMILESCCC[C@@H]1C(C(=O)OC)=C(C)O[C@H]1CI
InChIInChI=1S/C11H17IO3/c1-4-5-8-9(6-12)15-7(2)10(8)11(13)14-3/h8-9H,4-6H2,1-3H3/t8-,9-/m0/s1
InChIKeyNALMKYORIXVZSB-IUCAKERBSA-N
XLogP2.68
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.16
LogP ≤ 52.68
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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Frequently Asked Questions

What is the IUPAC name of methyl (2R,3R)-2-(iodomethyl)-5-methyl-3-propyl-2,3-dihydrofuran-4-carboxylate?
The IUPAC name of methyl (2R,3R)-2-(iodomethyl)-5-methyl-3-propyl-2,3-dihydrofuran-4-carboxylate (CID 11438706) is methyl (2R,3R)-2-(iodomethyl)-5-methyl-3-propyl-2,3-dihydrofuran-4-carboxylate.
What is the SMILES notation for methyl (2R,3R)-2-(iodomethyl)-5-methyl-3-propyl-2,3-dihydrofuran-4-carboxylate?
The canonical SMILES for methyl (2R,3R)-2-(iodomethyl)-5-methyl-3-propyl-2,3-dihydrofuran-4-carboxylate is CCC[C@@H]1C(C(=O)OC)=C(C)O[C@H]1CI.
What is the InChIKey of methyl (2R,3R)-2-(iodomethyl)-5-methyl-3-propyl-2,3-dihydrofuran-4-carboxylate?
The InChIKey is NALMKYORIXVZSB-IUCAKERBSA-N. The full InChI is InChI=1S/C11H17IO3/c1-4-5-8-9(6-12)15-7(2)10(8)11(13)14-3/h8-9H,4-6H2,1-3H3/t8-,9-/m0/s1.
What are the key properties of methyl (2R,3R)-2-(iodomethyl)-5-methyl-3-propyl-2,3-dihydrofuran-4-carboxylate?
methyl (2R,3R)-2-(iodomethyl)-5-methyl-3-propyl-2,3-dihydrofuran-4-carboxylate has a molecular weight of 324.16 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,3R)-2-(iodomethyl)-5-methyl-3-propyl-2,3-dihydrofuran-4-carboxylate is sourced from PubChem (CID 11438706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).