3,3-dihydroperoxy-2-iodopentane

C5H11IO4 — CID 134857460

IUPAC3,3-dihydroperoxy-2-iodopentane
SMILESCCC(OO)(OO)C(C)I
InChIInChI=1S/C5H11IO4/c1-3-5(9-7,10-8)4(2)6/h4,7-8H,3H2,1-2H3
InChIKeyABIZQFWKYTTZQF-UHFFFAOYSA-N
MW262.04 g/mol
LogP1.90
Rot. Bonds4

About 3,3-dihydroperoxy-2-iodopentane

3,3-dihydroperoxy-2-iodopentane (PubChem CID 134857460) has the molecular formula C5H11IO4 and a molecular weight of 262.04 g/mol. Its IUPAC name is 3,3-dihydroperoxy-2-iodopentane.

Molecular Properties

Compound Name3,3-dihydroperoxy-2-iodopentane
PubChem CID134857460
Molecular FormulaC5H11IO4
Molecular Weight262.04 g/mol
Exact Mass261.97
IUPAC Name3,3-dihydroperoxy-2-iodopentane
SMILESCCC(OO)(OO)C(C)I
InChIInChI=1S/C5H11IO4/c1-3-5(9-7,10-8)4(2)6/h4,7-8H,3H2,1-2H3
InChIKeyABIZQFWKYTTZQF-UHFFFAOYSA-N
XLogP1.90
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.04
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', '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

3-ethyl-2-hydroperoxy-3-methylpentane
CID 90139339
hydrogen peroxide;2-hydroperoxy-2-methylbutane
CID 172708880
2-hydroperoxy-2-methylpropane;2-methylpropane
CID 19861551
sodium;hydride;2-hydroperoxy-2-methylbutane
CID 175579970
(2S,3S)-2-iodo-3-methylpentane
CID 88913110
2-hydroperoxy-2-(2-hydroperoxybutan-2-ylperoxy)butane;hydrochloride
CID 174811988
2,2-dimethoxy-3-methylbutan-1-ol
CID 57218658
hydrogen peroxide;2-hydroperoxy-2-methylbutane;2-hydroperoxy-2-methylpropane
CID 172755800
3-(hydroxyamino)-2-methylpentan-3-ol
CID 18439597
2-methylpentane-3,3-diol
CID 87103548
2-hydroperoxy-4,4-dimethylhexan-3-one
CID 20715516
2,3,3-trimethylpentaneperoxoic acid
CID 87773929

Frequently Asked Questions

What is the IUPAC name of 3,3-dihydroperoxy-2-iodopentane?
The IUPAC name of 3,3-dihydroperoxy-2-iodopentane (CID 134857460) is 3,3-dihydroperoxy-2-iodopentane.
What is the SMILES notation for 3,3-dihydroperoxy-2-iodopentane?
The canonical SMILES for 3,3-dihydroperoxy-2-iodopentane is CCC(OO)(OO)C(C)I.
What is the InChIKey of 3,3-dihydroperoxy-2-iodopentane?
The InChIKey is ABIZQFWKYTTZQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11IO4/c1-3-5(9-7,10-8)4(2)6/h4,7-8H,3H2,1-2H3.
What are the key properties of 3,3-dihydroperoxy-2-iodopentane?
3,3-dihydroperoxy-2-iodopentane has a molecular weight of 262.04 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dihydroperoxy-2-iodopentane is sourced from PubChem (CID 134857460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).