3-(5,6-dimethyloxan-2-yl)propyl hypoiodite

C10H19IO2 — CID 134834892

IUPAC3-(5,6-dimethyloxan-2-yl)propyl hypoiodite
SMILESCC1CCC(CCCOI)OC1C
InChIInChI=1S/C10H19IO2/c1-8-5-6-10(13-9(8)2)4-3-7-12-11/h8-10H,3-7H2,1-2H3
InChIKeyCXCSJGWNZVQZJW-UHFFFAOYSA-N
MW298.16 g/mol
LogP3.34
Rot. Bonds4

About 3-(5,6-dimethyloxan-2-yl)propyl hypoiodite

3-(5,6-dimethyloxan-2-yl)propyl hypoiodite (PubChem CID 134834892) has the molecular formula C10H19IO2 and a molecular weight of 298.16 g/mol. Its IUPAC name is 3-(5,6-dimethyloxan-2-yl)propyl hypoiodite.

Molecular Properties

Compound Name3-(5,6-dimethyloxan-2-yl)propyl hypoiodite
PubChem CID134834892
Molecular FormulaC10H19IO2
Molecular Weight298.16 g/mol
Exact Mass298.04
IUPAC Name3-(5,6-dimethyloxan-2-yl)propyl hypoiodite
SMILESCC1CCC(CCCOI)OC1C
InChIInChI=1S/C10H19IO2/c1-8-5-6-10(13-9(8)2)4-3-7-12-11/h8-10H,3-7H2,1-2H3
InChIKeyCXCSJGWNZVQZJW-UHFFFAOYSA-N
XLogP3.34
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.16
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(5,6-dimethyloxan-2-yl)ethanol
CID 59772049
(5,6-dimethyloxan-2-yl)methyl acetate
CID 164565040
(2R,3S)-2,3,6-trimethyloxane
CID 142924826
(2S,5R)-2,5-di(pentadecyl)oxolane
CID 71352690
2-methyl-5-octadecyloxolane
CID 167511066
(2R,3S,7S)-7-hexyl-2-methoxy-3-methyloxepane
CID 101186418
3-[5-(3-hydroxypropyl)oxolan-2-yl]propan-1-ol
CID 20529882
2-(5-decyloxolan-2-yl)acetic acid
CID 14377096
4-[5-(carboxymethyl)oxolan-2-yl]butanoic acid
CID 13220194
1-[(2R,3R,5R)-5-[3-(methoxymethoxy)propyl]-3-methyloxolan-2-yl]ethanone
CID 10988064
1-[(2R,3R,5R)-5-[3-(methoxymethoxy)propyl]-3-methyloxolan-2-yl]ethanol
CID 10988129
2-(4-bromobutyl)-5-iodooxolane
CID 144952731

Frequently Asked Questions

What is the IUPAC name of 3-(5,6-dimethyloxan-2-yl)propyl hypoiodite?
The IUPAC name of 3-(5,6-dimethyloxan-2-yl)propyl hypoiodite (CID 134834892) is 3-(5,6-dimethyloxan-2-yl)propyl hypoiodite.
What is the SMILES notation for 3-(5,6-dimethyloxan-2-yl)propyl hypoiodite?
The canonical SMILES for 3-(5,6-dimethyloxan-2-yl)propyl hypoiodite is CC1CCC(CCCOI)OC1C.
What is the InChIKey of 3-(5,6-dimethyloxan-2-yl)propyl hypoiodite?
The InChIKey is CXCSJGWNZVQZJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19IO2/c1-8-5-6-10(13-9(8)2)4-3-7-12-11/h8-10H,3-7H2,1-2H3.
What are the key properties of 3-(5,6-dimethyloxan-2-yl)propyl hypoiodite?
3-(5,6-dimethyloxan-2-yl)propyl hypoiodite has a molecular weight of 298.16 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,6-dimethyloxan-2-yl)propyl hypoiodite is sourced from PubChem (CID 134834892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).