(3-methyloxan-2-yl)methyl hypoiodite

C7H13IO2 — CID 145419790

IUPAC(3-methyloxan-2-yl)methyl hypoiodite
SMILESCC1CCCOC1COI
InChIInChI=1S/C7H13IO2/c1-6-3-2-4-9-7(6)5-10-8/h6-7H,2-5H2,1H3
InChIKeyCDYOADBMFULWLF-UHFFFAOYSA-N
MW256.08 g/mol
LogP2.17
Rot. Bonds2

About (3-methyloxan-2-yl)methyl hypoiodite

(3-methyloxan-2-yl)methyl hypoiodite (PubChem CID 145419790) has the molecular formula C7H13IO2 and a molecular weight of 256.08 g/mol. Its IUPAC name is (3-methyloxan-2-yl)methyl hypoiodite.

Molecular Properties

Compound Name(3-methyloxan-2-yl)methyl hypoiodite
PubChem CID145419790
Molecular FormulaC7H13IO2
Molecular Weight256.08 g/mol
Exact Mass256.00
IUPAC Name(3-methyloxan-2-yl)methyl hypoiodite
SMILESCC1CCCOC1COI
InChIInChI=1S/C7H13IO2/c1-6-3-2-4-9-7(6)5-10-8/h6-7H,2-5H2,1H3
InChIKeyCDYOADBMFULWLF-UHFFFAOYSA-N
XLogP2.17
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.08
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

ethane;2-ethyl-3-methyloxane
CID 166536348
dihydroxy-[(3-methyloxolan-2-yl)methoxy]-sulfanylidene-λ5-phosphane
CID 166912694
(2S,3R)-2,3-dimethyloxane
CID 121479351
3-fluoro-1-[(3-methyloxan-2-yl)methyl]piperidine
CID 90985631
tert-butyl-dimethyl-[[(2R,3R)-3-methyloxolan-2-yl]methoxy]silane
CID 102031042
(2S,3R)-3-methyl-2-propan-2-yloxane
CID 121477247
(2R,3R)-3-methyl-2-propan-2-yloxane
CID 121477252
2-[(2S,3R)-3-methyloxepan-2-yl]acetamide
CID 121479434
(2R)-3-methoxy-2-(methoxymethyl)oxane
CID 169023835
(3R)-2,3,4-trimethyloxepane
CID 144648748
(2R)-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]oxane
CID 170102403
(2R,3S)-2-(bromomethyl)-3-methyloxolane
CID 155905802

Frequently Asked Questions

What is the IUPAC name of (3-methyloxan-2-yl)methyl hypoiodite?
The IUPAC name of (3-methyloxan-2-yl)methyl hypoiodite (CID 145419790) is (3-methyloxan-2-yl)methyl hypoiodite.
What is the SMILES notation for (3-methyloxan-2-yl)methyl hypoiodite?
The canonical SMILES for (3-methyloxan-2-yl)methyl hypoiodite is CC1CCCOC1COI.
What is the InChIKey of (3-methyloxan-2-yl)methyl hypoiodite?
The InChIKey is CDYOADBMFULWLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13IO2/c1-6-3-2-4-9-7(6)5-10-8/h6-7H,2-5H2,1H3.
What are the key properties of (3-methyloxan-2-yl)methyl hypoiodite?
(3-methyloxan-2-yl)methyl hypoiodite has a molecular weight of 256.08 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyloxan-2-yl)methyl hypoiodite is sourced from PubChem (CID 145419790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).