(2R,3S)-2-iodo-3-methoxyoxolane

C5H9IO2 — CID 162786702

IUPAC(2R,3S)-2-iodo-3-methoxyoxolane
SMILESCO[C@H]1CCO[C@@H]1I
InChIInChI=1S/C5H9IO2/c1-7-4-2-3-8-5(4)6/h4-5H,2-3H2,1H3/t4-,5-/m0/s1
InChIKeyYJGWLPHQHIRXRW-WHFBIAKZSA-N
MW228.03 g/mol
LogP1.18
Rot. Bonds1

About (2R,3S)-2-iodo-3-methoxyoxolane

(2R,3S)-2-iodo-3-methoxyoxolane (PubChem CID 162786702) has the molecular formula C5H9IO2 and a molecular weight of 228.03 g/mol. Its IUPAC name is (2R,3S)-2-iodo-3-methoxyoxolane.

Molecular Properties

Compound Name(2R,3S)-2-iodo-3-methoxyoxolane
PubChem CID162786702
Molecular FormulaC5H9IO2
Molecular Weight228.03 g/mol
Exact Mass227.96
IUPAC Name(2R,3S)-2-iodo-3-methoxyoxolane
SMILESCO[C@H]1CCO[C@@H]1I
InChIInChI=1S/C5H9IO2/c1-7-4-2-3-8-5(4)6/h4-5H,2-3H2,1H3/t4-,5-/m0/s1
InChIKeyYJGWLPHQHIRXRW-WHFBIAKZSA-N
XLogP1.18
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.03
LogP ≤ 51.18
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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Related Compounds

(2R)-3-ethoxy-2-iodooxolane
CID 146185883
(2S,3S,4R)-4-methoxy-2-methyloxan-3-ol
CID 66553643
methoxy-[(2S,3R,4S)-4-methoxy-2-methyloxan-3-yl]oxymethanethione
CID 163616011
2-bromo-4-methoxyoxane
CID 142459043
CID 170573296
CID 170573296
4-methoxy-5-methyldioxepane
CID 142607563
CID 59732107
CID 59732107
3-iodo-2-methoxyoxepane
CID 10923127
(3R,3aR,6R,6aS)-3,6-dimethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 7168228
(3S,3aR,6S,6aR)-3,6-dimethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;(3S,3aR,6R,6aR)-3,6-dimethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;(3R,3aR,6R,6aR)-3,6-dimethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;3,6-dimethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 159029439
(3S,3aS,6R,6aR)-3,6-dimethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 13002871
cis-(1R,2S)-1,2-dimethoxycyclopentane
CID 21122335

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-iodo-3-methoxyoxolane?
The IUPAC name of (2R,3S)-2-iodo-3-methoxyoxolane (CID 162786702) is (2R,3S)-2-iodo-3-methoxyoxolane.
What is the SMILES notation for (2R,3S)-2-iodo-3-methoxyoxolane?
The canonical SMILES for (2R,3S)-2-iodo-3-methoxyoxolane is CO[C@H]1CCO[C@@H]1I.
What is the InChIKey of (2R,3S)-2-iodo-3-methoxyoxolane?
The InChIKey is YJGWLPHQHIRXRW-WHFBIAKZSA-N. The full InChI is InChI=1S/C5H9IO2/c1-7-4-2-3-8-5(4)6/h4-5H,2-3H2,1H3/t4-,5-/m0/s1.
What are the key properties of (2R,3S)-2-iodo-3-methoxyoxolane?
(2R,3S)-2-iodo-3-methoxyoxolane has a molecular weight of 228.03 g/mol, XLogP of 1.18, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-iodo-3-methoxyoxolane is sourced from PubChem (CID 162786702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).