5-iodo-2,6-dimethyloxane-3,4-diol

C7H13IO3 — CID 59426747

IUPAC5-iodo-2,6-dimethyloxane-3,4-diol
SMILESCC1OC(C)C(I)C(O)C1O
InChIInChI=1S/C7H13IO3/c1-3-5(8)7(10)6(9)4(2)11-3/h3-7,9-10H,1-2H3
InChIKeyAJPCICQUNGJOFW-UHFFFAOYSA-N
MW272.08 g/mol
LogP0.32
Rot. Bonds

About 5-iodo-2,6-dimethyloxane-3,4-diol

5-iodo-2,6-dimethyloxane-3,4-diol (PubChem CID 59426747) has the molecular formula C7H13IO3 and a molecular weight of 272.08 g/mol. Its IUPAC name is 5-iodo-2,6-dimethyloxane-3,4-diol.

Molecular Properties

Compound Name5-iodo-2,6-dimethyloxane-3,4-diol
PubChem CID59426747
Molecular FormulaC7H13IO3
Molecular Weight272.08 g/mol
Exact Mass271.99
IUPAC Name5-iodo-2,6-dimethyloxane-3,4-diol
SMILESCC1OC(C)C(I)C(O)C1O
InChIInChI=1S/C7H13IO3/c1-3-5(8)7(10)6(9)4(2)11-3/h3-7,9-10H,1-2H3
InChIKeyAJPCICQUNGJOFW-UHFFFAOYSA-N
XLogP0.32
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.08
LogP ≤ 50.32
H-Bond Donors ≤ 52
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

(2R,3R,5S)-2,6-dimethyloxane-3,4,5-triol
CID 90181496
2-iodo-6-methyloxane-3,4,5-triol
CID 77439703
(3R,4R,5S)-2-(fluoromethyl)-4-iodo-5-methyloxolan-3-ol
CID 58758246
(1S,2R,4R,5R,6R)-2,4-dimethyl-3,7-dioxabicyclo[4.1.0]heptan-5-ol
CID 118517804
(3R)-5-methyloxolane-2,3,4-triol
CID 59335588
CID 175746637
CID 175746637
(2S,3R,4S,5R,6S)-5-amino-2,6-dimethyloxane-3,4-diol
CID 59078216
(2R,5S)-4-amino-2,6-dimethyloxane-3,5-diol
CID 89232142
(3S,4R,5S,6S)-6-methyl(213C)oxane-2,3,4,5-tetrol
CID 101369112
(3R,4R,6S)-2,4,5,6-tetramethyloxan-3-ol
CID 91529675
(2R,3R,4S,5R,6R)-6-methyloxane-2,3,4,5-tetrol;(2R,3S,4R,5S,6S)-6-methyloxane-2,3,4,5-tetrol
CID 129314639
(3S,4R,5R)-6-methyloxane-2,3,4,5-tetrol
CID 59897521

Frequently Asked Questions

What is the IUPAC name of 5-iodo-2,6-dimethyloxane-3,4-diol?
The IUPAC name of 5-iodo-2,6-dimethyloxane-3,4-diol (CID 59426747) is 5-iodo-2,6-dimethyloxane-3,4-diol.
What is the SMILES notation for 5-iodo-2,6-dimethyloxane-3,4-diol?
The canonical SMILES for 5-iodo-2,6-dimethyloxane-3,4-diol is CC1OC(C)C(I)C(O)C1O.
What is the InChIKey of 5-iodo-2,6-dimethyloxane-3,4-diol?
The InChIKey is AJPCICQUNGJOFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13IO3/c1-3-5(8)7(10)6(9)4(2)11-3/h3-7,9-10H,1-2H3.
What are the key properties of 5-iodo-2,6-dimethyloxane-3,4-diol?
5-iodo-2,6-dimethyloxane-3,4-diol has a molecular weight of 272.08 g/mol, XLogP of 0.32, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2,6-dimethyloxane-3,4-diol is sourced from PubChem (CID 59426747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).