4-hydroperoxyperoxyundecane

C11H24O4 — CID 141347874

IUPAC4-hydroperoxyperoxyundecane
SMILESCCCCCCCC(CCC)OOOO
InChIInChI=1S/C11H24O4/c1-3-5-6-7-8-10-11(9-4-2)13-15-14-12/h11-12H,3-10H2,1-2H3
InChIKeySZNRPXSLMBHYOI-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.87
Rot. Bonds11

About 4-hydroperoxyperoxyundecane

4-hydroperoxyperoxyundecane (PubChem CID 141347874) has the molecular formula C11H24O4 and a molecular weight of 220.31 g/mol. Its IUPAC name is 4-hydroperoxyperoxyundecane.

Molecular Properties

Compound Name4-hydroperoxyperoxyundecane
PubChem CID141347874
Molecular FormulaC11H24O4
Molecular Weight220.31 g/mol
Exact Mass220.17
IUPAC Name4-hydroperoxyperoxyundecane
SMILESCCCCCCCC(CCC)OOOO
InChIInChI=1S/C11H24O4/c1-3-5-6-7-8-10-11(9-4-2)13-15-14-12/h11-12H,3-10H2,1-2H3
InChIKeySZNRPXSLMBHYOI-UHFFFAOYSA-N
XLogP3.87
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-hydroperoxyperoxytetradecane
CID 140639805
4-(trioxidanyl)undecane
CID 140639892
henicosan-4-yloxy dihydrogen phosphate
CID 175269887
henicosan-4-yl dihydrogen phosphate
CID 175269897
4-icosan-4-yloxyicosane
CID 87313284
4-hexadecan-5-yloxyhexadecane
CID 57069400
tridecan-4-yloxymethanediol
CID 160683891
12-(trioxidanyl)octadecanoic acid
CID 19862057
5-butoxyperoxydecane
CID 90111199
dotriacontan-16-yl dihydrogen phosphate
CID 87532136
pentadecan-6-yl dihydrogen phosphate
CID 22719349
dodecan-4-yl phosphono hydrogen phosphate
CID 88765863

Frequently Asked Questions

What is the IUPAC name of 4-hydroperoxyperoxyundecane?
The IUPAC name of 4-hydroperoxyperoxyundecane (CID 141347874) is 4-hydroperoxyperoxyundecane.
What is the SMILES notation for 4-hydroperoxyperoxyundecane?
The canonical SMILES for 4-hydroperoxyperoxyundecane is CCCCCCCC(CCC)OOOO.
What is the InChIKey of 4-hydroperoxyperoxyundecane?
The InChIKey is SZNRPXSLMBHYOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O4/c1-3-5-6-7-8-10-11(9-4-2)13-15-14-12/h11-12H,3-10H2,1-2H3.
What are the key properties of 4-hydroperoxyperoxyundecane?
4-hydroperoxyperoxyundecane has a molecular weight of 220.31 g/mol, XLogP of 3.87, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroperoxyperoxyundecane is sourced from PubChem (CID 141347874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).