[(1R,5R)-5-(hydroxymethyl)-3-methyl-8-oxabicyclo[3.2.1]octa-3,6-dien-1-yl]methyl hypoiodite

C10H13IO3 — CID 134172120

IUPAC[(1R,5R)-5-(hydroxymethyl)-3-methyl-8-oxabicyclo[3.2.1]octa-3,6-dien-1-yl]methyl hypoiodite
SMILESCC1=C[C@@]2(CO)C=C[C@@](COI)(C1)O2
InChIInChI=1S/C10H13IO3/c1-8-4-9(6-12)2-3-10(5-8,14-9)7-13-11/h2-4,12H,5-7H2,1H3/t9-,10+/m1/s1
InChIKeyKGAPLTSRTUTHAO-ZJUUUORDSA-N
MW308.12 g/mol
LogP1.76
Rot. Bonds3

About [(1R,5R)-5-(hydroxymethyl)-3-methyl-8-oxabicyclo[3.2.1]octa-3,6-dien-1-yl]methyl hypoiodite

[(1R,5R)-5-(hydroxymethyl)-3-methyl-8-oxabicyclo[3.2.1]octa-3,6-dien-1-yl]methyl hypoiodite (PubChem CID 134172120) has the molecular formula C10H13IO3 and a molecular weight of 308.12 g/mol. Its IUPAC name is [(1R,5R)-5-(hydroxymethyl)-3-methyl-8-oxabicyclo[3.2.1]octa-3,6-dien-1-yl]methyl hypoiodite.

Molecular Properties

Compound Name[(1R,5R)-5-(hydroxymethyl)-3-methyl-8-oxabicyclo[3.2.1]octa-3,6-dien-1-yl]methyl hypoiodite
PubChem CID134172120
Molecular FormulaC10H13IO3
Molecular Weight308.12 g/mol
Exact Mass307.99
IUPAC Name[(1R,5R)-5-(hydroxymethyl)-3-methyl-8-oxabicyclo[3.2.1]octa-3,6-dien-1-yl]methyl hypoiodite
SMILESCC1=C[C@@]2(CO)C=C[C@@](COI)(C1)O2
InChIInChI=1S/C10H13IO3/c1-8-4-9(6-12)2-3-10(5-8,14-9)7-13-11/h2-4,12H,5-7H2,1H3/t9-,10+/m1/s1
InChIKeyKGAPLTSRTUTHAO-ZJUUUORDSA-N
XLogP1.76
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.12
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 [(1R,5R)-5-(hydroxymethyl)-3-methyl-8-oxabicyclo[3.2.1]octa-3,6-dien-1-yl]methyl hypoiodite?
The IUPAC name of [(1R,5R)-5-(hydroxymethyl)-3-methyl-8-oxabicyclo[3.2.1]octa-3,6-dien-1-yl]methyl hypoiodite (CID 134172120) is [(1R,5R)-5-(hydroxymethyl)-3-methyl-8-oxabicyclo[3.2.1]octa-3,6-dien-1-yl]methyl hypoiodite.
What is the SMILES notation for [(1R,5R)-5-(hydroxymethyl)-3-methyl-8-oxabicyclo[3.2.1]octa-3,6-dien-1-yl]methyl hypoiodite?
The canonical SMILES for [(1R,5R)-5-(hydroxymethyl)-3-methyl-8-oxabicyclo[3.2.1]octa-3,6-dien-1-yl]methyl hypoiodite is CC1=C[C@@]2(CO)C=C[C@@](COI)(C1)O2.
What is the InChIKey of [(1R,5R)-5-(hydroxymethyl)-3-methyl-8-oxabicyclo[3.2.1]octa-3,6-dien-1-yl]methyl hypoiodite?
The InChIKey is KGAPLTSRTUTHAO-ZJUUUORDSA-N. The full InChI is InChI=1S/C10H13IO3/c1-8-4-9(6-12)2-3-10(5-8,14-9)7-13-11/h2-4,12H,5-7H2,1H3/t9-,10+/m1/s1.
What are the key properties of [(1R,5R)-5-(hydroxymethyl)-3-methyl-8-oxabicyclo[3.2.1]octa-3,6-dien-1-yl]methyl hypoiodite?
[(1R,5R)-5-(hydroxymethyl)-3-methyl-8-oxabicyclo[3.2.1]octa-3,6-dien-1-yl]methyl hypoiodite has a molecular weight of 308.12 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,5R)-5-(hydroxymethyl)-3-methyl-8-oxabicyclo[3.2.1]octa-3,6-dien-1-yl]methyl hypoiodite is sourced from PubChem (CID 134172120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).