10-hydroperoxydecaneperoxoic acid

C10H20O5 — CID 173162318

IUPAC10-hydroperoxydecaneperoxoic acid
SMILESO=C(CCCCCCCCCOO)OO
InChIInChI=1S/C10H20O5/c11-10(15-13)8-6-4-2-1-3-5-7-9-14-12/h12-13H,1-9H2
InChIKeyBZUQLFJUTXPEBH-UHFFFAOYSA-N
MW220.26 g/mol
LogP2.61
Rot. Bonds10

About 10-hydroperoxydecaneperoxoic acid

10-hydroperoxydecaneperoxoic acid (PubChem CID 173162318) has the molecular formula C10H20O5 and a molecular weight of 220.26 g/mol. Its IUPAC name is 10-hydroperoxydecaneperoxoic acid.

Molecular Properties

Compound Name10-hydroperoxydecaneperoxoic acid
PubChem CID173162318
Molecular FormulaC10H20O5
Molecular Weight220.26 g/mol
Exact Mass220.13
IUPAC Name10-hydroperoxydecaneperoxoic acid
SMILESO=C(CCCCCCCCCOO)OO
InChIInChI=1S/C10H20O5/c11-10(15-13)8-6-4-2-1-3-5-7-9-14-12/h12-13H,1-9H2
InChIKeyBZUQLFJUTXPEBH-UHFFFAOYSA-N
XLogP2.61
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.26
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

alumane;hexanediperoxoic acid
CID 173462864
16-hydroperoxy-16-oxohexadecanoic acid
CID 141025407
9-hydroperoxy-9-oxononanoic acid
CID 54396666
8-hydroperoxyoctanoic acid
CID 91550474
6-aminohexaneperoxoic acid
CID 22717715
12-aminododecaneperoxoic acid
CID 19931514
6-iodohexaneperoxoic acid
CID 87969100
5-ethoxypentaneperoxoic acid
CID 59169108
tetradecaneperoxoic acid;titanium
CID 87908201
butaneperoxoic acid;octadecaneperoxoic acid
CID 175012796
lithium;hydride;octadecaneperoxoic acid
CID 173037900
dec-9-eneperoxoic acid
CID 177164421

Frequently Asked Questions

What is the IUPAC name of 10-hydroperoxydecaneperoxoic acid?
The IUPAC name of 10-hydroperoxydecaneperoxoic acid (CID 173162318) is 10-hydroperoxydecaneperoxoic acid.
What is the SMILES notation for 10-hydroperoxydecaneperoxoic acid?
The canonical SMILES for 10-hydroperoxydecaneperoxoic acid is O=C(CCCCCCCCCOO)OO.
What is the InChIKey of 10-hydroperoxydecaneperoxoic acid?
The InChIKey is BZUQLFJUTXPEBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O5/c11-10(15-13)8-6-4-2-1-3-5-7-9-14-12/h12-13H,1-9H2.
What are the key properties of 10-hydroperoxydecaneperoxoic acid?
10-hydroperoxydecaneperoxoic acid has a molecular weight of 220.26 g/mol, XLogP of 2.61, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-hydroperoxydecaneperoxoic acid is sourced from PubChem (CID 173162318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).