1-hydroperoxyperoxydecane;3-hydroxypyrrolidine-2,5-dione

C14H27NO7 — CID 122537613

IUPAC1-hydroperoxyperoxydecane;3-hydroxypyrrolidine-2,5-dione
SMILESCCCCCCCCCCOOOO.O=C1CC(O)C(=O)N1
InChIInChI=1S/C10H22O4.C4H5NO3/c1-2-3-4-5-6-7-8-9-10-12-14-13-11;6-2-1-3(7)5-4(2)8/h11H,2-10H2,1H3;2,6H,1H2,(H,5,7,8)
InChIKeyBLLSQPRIIBLUSO-UHFFFAOYSA-N
MW321.37 g/mol
LogP1.87
Rot. Bonds11

About 1-hydroperoxyperoxydecane;3-hydroxypyrrolidine-2,5-dione

1-hydroperoxyperoxydecane;3-hydroxypyrrolidine-2,5-dione (PubChem CID 122537613) has the molecular formula C14H27NO7 and a molecular weight of 321.37 g/mol. Its IUPAC name is 1-hydroperoxyperoxydecane;3-hydroxypyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-hydroperoxyperoxydecane;3-hydroxypyrrolidine-2,5-dione
PubChem CID122537613
Molecular FormulaC14H27NO7
Molecular Weight321.37 g/mol
Exact Mass321.18
IUPAC Name1-hydroperoxyperoxydecane;3-hydroxypyrrolidine-2,5-dione
SMILESCCCCCCCCCCOOOO.O=C1CC(O)C(=O)N1
InChIInChI=1S/C10H22O4.C4H5NO3/c1-2-3-4-5-6-7-8-9-10-12-14-13-11;6-2-1-3(7)5-4(2)8/h11H,2-10H2,1H3;2,6H,1H2,(H,5,7,8)
InChIKeyBLLSQPRIIBLUSO-UHFFFAOYSA-N
XLogP1.87
TPSA114.32 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.37
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(3S)-3-hydroxypyrrolidine-2,5-dione
CID 66575038
1-hydroperoxyperoxy-22-pentoxydocosane
CID 118460849
3-hydroxypyrrolidine-2,5-dione;phosphane
CID 155059355
CID 66653042
CID 66653042
1-(trioxidanylperoxyperoxy)hexadecane
CID 141273447
ethane-1,2-diol;3-hydroxypyrrolidine-2,5-dione
CID 118323110
3-hexylpyrrolidine-2,5-dione;hydrochloride
CID 70281671
3-(2-carboxyethoxy)propanoic acid;3-hydroxypyrrolidine-2,5-dione
CID 162174000
1-(trioxidanyl)tetradecane
CID 90111770
carbamic acid;3-hydroxypyrrolidine-2,5-dione
CID 67532749
1-butylperoxyperoxynonane
CID 90169675
1-butoxyperoxynonane
CID 90110144

Frequently Asked Questions

What is the IUPAC name of 1-hydroperoxyperoxydecane;3-hydroxypyrrolidine-2,5-dione?
The IUPAC name of 1-hydroperoxyperoxydecane;3-hydroxypyrrolidine-2,5-dione (CID 122537613) is 1-hydroperoxyperoxydecane;3-hydroxypyrrolidine-2,5-dione.
What is the SMILES notation for 1-hydroperoxyperoxydecane;3-hydroxypyrrolidine-2,5-dione?
The canonical SMILES for 1-hydroperoxyperoxydecane;3-hydroxypyrrolidine-2,5-dione is CCCCCCCCCCOOOO.O=C1CC(O)C(=O)N1.
What is the InChIKey of 1-hydroperoxyperoxydecane;3-hydroxypyrrolidine-2,5-dione?
The InChIKey is BLLSQPRIIBLUSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O4.C4H5NO3/c1-2-3-4-5-6-7-8-9-10-12-14-13-11;6-2-1-3(7)5-4(2)8/h11H,2-10H2,1H3;2,6H,1H2,(H,5,7,8).
What are the key properties of 1-hydroperoxyperoxydecane;3-hydroxypyrrolidine-2,5-dione?
1-hydroperoxyperoxydecane;3-hydroxypyrrolidine-2,5-dione has a molecular weight of 321.37 g/mol, XLogP of 1.87, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroperoxyperoxydecane;3-hydroxypyrrolidine-2,5-dione is sourced from PubChem (CID 122537613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).