(2S,3R,4R,5S)-3-ethoxy-2-(iodomethyl)-4,5-dimethyloxolane

C9H17IO2 — CID 101021701

IUPAC(2S,3R,4R,5S)-3-ethoxy-2-(iodomethyl)-4,5-dimethyloxolane
SMILESCCO[C@@H]1[C@H](C)[C@H](C)O[C@@H]1CI
InChIInChI=1S/C9H17IO2/c1-4-11-9-6(2)7(3)12-8(9)5-10/h6-9H,4-5H2,1-3H3/t6-,7+,8-,9-/m1/s1
InChIKeyLFLKQIIQVIZJEX-BZNPZCIMSA-N
MW284.14 g/mol
LogP2.25
Rot. Bonds3

About (2S,3R,4R,5S)-3-ethoxy-2-(iodomethyl)-4,5-dimethyloxolane

(2S,3R,4R,5S)-3-ethoxy-2-(iodomethyl)-4,5-dimethyloxolane (PubChem CID 101021701) has the molecular formula C9H17IO2 and a molecular weight of 284.14 g/mol. Its IUPAC name is (2S,3R,4R,5S)-3-ethoxy-2-(iodomethyl)-4,5-dimethyloxolane.

Molecular Properties

Compound Name(2S,3R,4R,5S)-3-ethoxy-2-(iodomethyl)-4,5-dimethyloxolane
PubChem CID101021701
Molecular FormulaC9H17IO2
Molecular Weight284.14 g/mol
Exact Mass284.03
IUPAC Name(2S,3R,4R,5S)-3-ethoxy-2-(iodomethyl)-4,5-dimethyloxolane
SMILESCCO[C@@H]1[C@H](C)[C@H](C)O[C@@H]1CI
InChIInChI=1S/C9H17IO2/c1-4-11-9-6(2)7(3)12-8(9)5-10/h6-9H,4-5H2,1-3H3/t6-,7+,8-,9-/m1/s1
InChIKeyLFLKQIIQVIZJEX-BZNPZCIMSA-N
XLogP2.25
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.14
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (2S,3R,4R,5S)-3-ethoxy-2-(iodomethyl)-4,5-dimethyloxolane?
The IUPAC name of (2S,3R,4R,5S)-3-ethoxy-2-(iodomethyl)-4,5-dimethyloxolane (CID 101021701) is (2S,3R,4R,5S)-3-ethoxy-2-(iodomethyl)-4,5-dimethyloxolane.
What is the SMILES notation for (2S,3R,4R,5S)-3-ethoxy-2-(iodomethyl)-4,5-dimethyloxolane?
The canonical SMILES for (2S,3R,4R,5S)-3-ethoxy-2-(iodomethyl)-4,5-dimethyloxolane is CCO[C@@H]1[C@H](C)[C@H](C)O[C@@H]1CI.
What is the InChIKey of (2S,3R,4R,5S)-3-ethoxy-2-(iodomethyl)-4,5-dimethyloxolane?
The InChIKey is LFLKQIIQVIZJEX-BZNPZCIMSA-N. The full InChI is InChI=1S/C9H17IO2/c1-4-11-9-6(2)7(3)12-8(9)5-10/h6-9H,4-5H2,1-3H3/t6-,7+,8-,9-/m1/s1.
What are the key properties of (2S,3R,4R,5S)-3-ethoxy-2-(iodomethyl)-4,5-dimethyloxolane?
(2S,3R,4R,5S)-3-ethoxy-2-(iodomethyl)-4,5-dimethyloxolane has a molecular weight of 284.14 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R,5S)-3-ethoxy-2-(iodomethyl)-4,5-dimethyloxolane is sourced from PubChem (CID 101021701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).