[2-[2-(2-pentyl-1,3-dioxolan-2-yl)ethyl]cyclopentyl]oxy hypoiodite

C15H27IO4 — CID 142057613

IUPAC[2-[2-(2-pentyl-1,3-dioxolan-2-yl)ethyl]cyclopentyl]oxy hypoiodite
SMILESCCCCCC1(CCC2CCCC2OOI)OCCO1
InChIInChI=1S/C15H27IO4/c1-2-3-4-9-15(17-11-12-18-15)10-8-13-6-5-7-14(13)19-20-16/h13-14H,2-12H2,1H3
InChIKeyCHRYRQDONXJQKR-UHFFFAOYSA-N
MW398.28 g/mol
LogP4.56
Rot. Bonds9

About [2-[2-(2-pentyl-1,3-dioxolan-2-yl)ethyl]cyclopentyl]oxy hypoiodite

[2-[2-(2-pentyl-1,3-dioxolan-2-yl)ethyl]cyclopentyl]oxy hypoiodite (PubChem CID 142057613) has the molecular formula C15H27IO4 and a molecular weight of 398.28 g/mol. Its IUPAC name is [2-[2-(2-pentyl-1,3-dioxolan-2-yl)ethyl]cyclopentyl]oxy hypoiodite.

Molecular Properties

Compound Name[2-[2-(2-pentyl-1,3-dioxolan-2-yl)ethyl]cyclopentyl]oxy hypoiodite
PubChem CID142057613
Molecular FormulaC15H27IO4
Molecular Weight398.28 g/mol
Exact Mass398.10
IUPAC Name[2-[2-(2-pentyl-1,3-dioxolan-2-yl)ethyl]cyclopentyl]oxy hypoiodite
SMILESCCCCCC1(CCC2CCCC2OOI)OCCO1
InChIInChI=1S/C15H27IO4/c1-2-3-4-9-15(17-11-12-18-15)10-8-13-6-5-7-14(13)19-20-16/h13-14H,2-12H2,1H3
InChIKeyCHRYRQDONXJQKR-UHFFFAOYSA-N
XLogP4.56
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.28
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

2-heptyl-2-octyl-1,3-dioxolane
CID 89440490
2-dodecyl-2-heptyl-1,3-dioxolane
CID 89440443
2-(2-cyclopentylethyl)-2-heptyl-1,3-dioxane
CID 143254980
2-dodecyl-2-heptyl-1,3-dioxane
CID 89440122
2-dodecyl-2-ethyl-1,3-dioxolane
CID 89440432
2-[6-(9-borabicyclo[3.3.1]nonan-9-yl)hexyl]-2-hexyl-1,3-dioxolane
CID 11002954
ethane;2-heptyl-2-propyl-1,3-dioxolane
CID 144819660
trans-(1R,2R)-3-methyl-2-[2-(2-pentyl-1,3-dioxolan-2-yl)ethyl]cyclopentan-1-ol
CID 68746614
2-heptyl-2-propyl-1,3-dioxane
CID 89440265
[(1S,2R)-4-ethoxy-2-[2-(2-pentyl-1,3-dioxolan-2-yl)ethyl]cyclopentyl] formate
CID 163694800
3-[2-(2-heptyl-1,3-dioxolan-2-yl)ethyl]cyclopentan-1-one
CID 144503975
7-(2-decyl-1,3-dioxolan-2-yl)heptan-1-ol
CID 10359175

Frequently Asked Questions

What is the IUPAC name of [2-[2-(2-pentyl-1,3-dioxolan-2-yl)ethyl]cyclopentyl]oxy hypoiodite?
The IUPAC name of [2-[2-(2-pentyl-1,3-dioxolan-2-yl)ethyl]cyclopentyl]oxy hypoiodite (CID 142057613) is [2-[2-(2-pentyl-1,3-dioxolan-2-yl)ethyl]cyclopentyl]oxy hypoiodite.
What is the SMILES notation for [2-[2-(2-pentyl-1,3-dioxolan-2-yl)ethyl]cyclopentyl]oxy hypoiodite?
The canonical SMILES for [2-[2-(2-pentyl-1,3-dioxolan-2-yl)ethyl]cyclopentyl]oxy hypoiodite is CCCCCC1(CCC2CCCC2OOI)OCCO1.
What is the InChIKey of [2-[2-(2-pentyl-1,3-dioxolan-2-yl)ethyl]cyclopentyl]oxy hypoiodite?
The InChIKey is CHRYRQDONXJQKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27IO4/c1-2-3-4-9-15(17-11-12-18-15)10-8-13-6-5-7-14(13)19-20-16/h13-14H,2-12H2,1H3.
What are the key properties of [2-[2-(2-pentyl-1,3-dioxolan-2-yl)ethyl]cyclopentyl]oxy hypoiodite?
[2-[2-(2-pentyl-1,3-dioxolan-2-yl)ethyl]cyclopentyl]oxy hypoiodite has a molecular weight of 398.28 g/mol, XLogP of 4.56, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(2-pentyl-1,3-dioxolan-2-yl)ethyl]cyclopentyl]oxy hypoiodite is sourced from PubChem (CID 142057613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).