(2-but-3-enyloxolan-2-yl) hypoiodite

C8H13IO2 — CID 10084364

IUPAC(2-but-3-enyloxolan-2-yl) hypoiodite
SMILESC=CCCC1(OI)CCCO1
InChIInChI=1S/C8H13IO2/c1-2-3-5-8(11-9)6-4-7-10-8/h2H,1,3-7H2
InChIKeyXKKVQKROMRQXFJ-UHFFFAOYSA-N
MW268.09 g/mol
LogP2.83
Rot. Bonds4

About (2-but-3-enyloxolan-2-yl) hypoiodite

(2-but-3-enyloxolan-2-yl) hypoiodite (PubChem CID 10084364) has the molecular formula C8H13IO2 and a molecular weight of 268.09 g/mol. Its IUPAC name is (2-but-3-enyloxolan-2-yl) hypoiodite.

Molecular Properties

Compound Name(2-but-3-enyloxolan-2-yl) hypoiodite
PubChem CID10084364
Molecular FormulaC8H13IO2
Molecular Weight268.09 g/mol
Exact Mass268.00
IUPAC Name(2-but-3-enyloxolan-2-yl) hypoiodite
SMILESC=CCCC1(OI)CCCO1
InChIInChI=1S/C8H13IO2/c1-2-3-5-8(11-9)6-4-7-10-8/h2H,1,3-7H2
InChIKeyXKKVQKROMRQXFJ-UHFFFAOYSA-N
XLogP2.83
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.09
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,6-Dioxaspiro[4.5]dec-7-ene
CID 14321881
2-Oct-7-enoxyoxolane
CID 176437796
2-But-3-enyl-5-methoxyoxolane;ethane
CID 145014883
2-But-3-enyl-5-methoxyoxolane
CID 145014884
2-Methoxy-2-prop-2-enyloxolane
CID 174997546
2-(But-3-en-1-yl)tetrahydrofuran-2-ol
CID 13867906
(2S,5R)-2-(But-3-en-1-yl)-1,6-dioxaspiro[4.4]nonane
CID 71424192
(2R,5S)-2-(But-3-en-1-yl)-1,6-dioxaspiro[4.4]nonane
CID 71424193
(2R)-2-(But-3-en-1-yl)-1,6-dioxaspiro[4.4]nonane
CID 71424194
(2S)-2-(But-3-en-1-yl)-1,6-dioxaspiro[4.4]nonane
CID 71424195
2-But-3-enyl-1,6-dioxaspiro[4.4]nonane
CID 78068843
2-(Pent-4-en-1-yl)tetrahydrofuran-2-ol
CID 84819607

Frequently Asked Questions

What is the IUPAC name of (2-but-3-enyloxolan-2-yl) hypoiodite?
The IUPAC name of (2-but-3-enyloxolan-2-yl) hypoiodite (CID 10084364) is (2-but-3-enyloxolan-2-yl) hypoiodite.
What is the SMILES notation for (2-but-3-enyloxolan-2-yl) hypoiodite?
The canonical SMILES for (2-but-3-enyloxolan-2-yl) hypoiodite is C=CCCC1(OI)CCCO1.
What is the InChIKey of (2-but-3-enyloxolan-2-yl) hypoiodite?
The InChIKey is XKKVQKROMRQXFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13IO2/c1-2-3-5-8(11-9)6-4-7-10-8/h2H,1,3-7H2.
What are the key properties of (2-but-3-enyloxolan-2-yl) hypoiodite?
(2-but-3-enyloxolan-2-yl) hypoiodite has a molecular weight of 268.09 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-but-3-enyloxolan-2-yl) hypoiodite is sourced from PubChem (CID 10084364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).