(2R,3S)-3-iodo-2-prop-2-enoxyoxolane

C7H11IO2 — CID 15318782

IUPAC(2R,3S)-3-iodo-2-prop-2-enoxyoxolane
SMILESC=CCO[C@H]1OCC[C@@H]1I
InChIInChI=1S/C7H11IO2/c1-2-4-9-7-6(8)3-5-10-7/h2,6-7H,1,3-5H2/t6-,7-/m0/s1
InChIKeyQJVJCFXMTSVSNL-BQBZGAKWSA-N
MW254.07 g/mol
LogP1.74
Rot. Bonds3

About (2R,3S)-3-iodo-2-prop-2-enoxyoxolane

(2R,3S)-3-iodo-2-prop-2-enoxyoxolane (PubChem CID 15318782) has the molecular formula C7H11IO2 and a molecular weight of 254.07 g/mol. Its IUPAC name is (2R,3S)-3-iodo-2-prop-2-enoxyoxolane.

Molecular Properties

Compound Name(2R,3S)-3-iodo-2-prop-2-enoxyoxolane
PubChem CID15318782
Molecular FormulaC7H11IO2
Molecular Weight254.07 g/mol
Exact Mass253.98
IUPAC Name(2R,3S)-3-iodo-2-prop-2-enoxyoxolane
SMILESC=CCO[C@H]1OCC[C@@H]1I
InChIInChI=1S/C7H11IO2/c1-2-4-9-7-6(8)3-5-10-7/h2,6-7H,1,3-5H2/t6-,7-/m0/s1
InChIKeyQJVJCFXMTSVSNL-BQBZGAKWSA-N
XLogP1.74
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.07
LogP ≤ 51.74
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-iodo-2-prop-2-enoxyoxolane?
The IUPAC name of (2R,3S)-3-iodo-2-prop-2-enoxyoxolane (CID 15318782) is (2R,3S)-3-iodo-2-prop-2-enoxyoxolane.
What is the SMILES notation for (2R,3S)-3-iodo-2-prop-2-enoxyoxolane?
The canonical SMILES for (2R,3S)-3-iodo-2-prop-2-enoxyoxolane is C=CCO[C@H]1OCC[C@@H]1I.
What is the InChIKey of (2R,3S)-3-iodo-2-prop-2-enoxyoxolane?
The InChIKey is QJVJCFXMTSVSNL-BQBZGAKWSA-N. The full InChI is InChI=1S/C7H11IO2/c1-2-4-9-7-6(8)3-5-10-7/h2,6-7H,1,3-5H2/t6-,7-/m0/s1.
What are the key properties of (2R,3S)-3-iodo-2-prop-2-enoxyoxolane?
(2R,3S)-3-iodo-2-prop-2-enoxyoxolane has a molecular weight of 254.07 g/mol, XLogP of 1.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-iodo-2-prop-2-enoxyoxolane is sourced from PubChem (CID 15318782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).