butaneperoxoic acid;hexaneperoxoic acid;pentaneperoxoic acid

C15H30O9 — CID 175089027

IUPACbutaneperoxoic acid;hexaneperoxoic acid;pentaneperoxoic acid
SMILESCCCC(=O)OO.CCCCC(=O)OO.CCCCCC(=O)OO
InChIInChI=1S/C6H12O3.C5H10O3.C4H8O3/c1-2-3-4-5-6(7)9-8;1-2-3-4-5(6)8-7;1-2-3-4(5)7-6/h8H,2-5H2,1H3;7H,2-4H2,1H3;6H,2-3H2,1H3
InChIKeyBYKJFSTWXMGTHC-UHFFFAOYSA-N
MW354.40 g/mol
LogP3.58
Rot. Bonds9

About butaneperoxoic acid;hexaneperoxoic acid;pentaneperoxoic acid

butaneperoxoic acid;hexaneperoxoic acid;pentaneperoxoic acid (PubChem CID 175089027) has the molecular formula C15H30O9 and a molecular weight of 354.40 g/mol. Its IUPAC name is butaneperoxoic acid;hexaneperoxoic acid;pentaneperoxoic acid.

Molecular Properties

Compound Namebutaneperoxoic acid;hexaneperoxoic acid;pentaneperoxoic acid
PubChem CID175089027
Molecular FormulaC15H30O9
Molecular Weight354.40 g/mol
Exact Mass354.19
IUPAC Namebutaneperoxoic acid;hexaneperoxoic acid;pentaneperoxoic acid
SMILESCCCC(=O)OO.CCCCC(=O)OO.CCCCCC(=O)OO
InChIInChI=1S/C6H12O3.C5H10O3.C4H8O3/c1-2-3-4-5-6(7)9-8;1-2-3-4-5(6)8-7;1-2-3-4(5)7-6/h8H,2-5H2,1H3;7H,2-4H2,1H3;6H,2-3H2,1H3
InChIKeyBYKJFSTWXMGTHC-UHFFFAOYSA-N
XLogP3.58
TPSA139.59 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.40
LogP ≤ 53.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'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

butaneperoxoic acid;octadecaneperoxoic acid
CID 175012796
tetradecaneperoxoic acid;titanium
CID 87908201
lithium;hydride;octadecaneperoxoic acid
CID 173037900
magnesium;alumane;hydride;octadecaneperoxoic acid
CID 173057605
magnesium;alumane;docosaneperoxoic acid;hydride
CID 173369321
hydroxy(dimethyl)silane;octadecaneperoxoic acid
CID 175440120
potassium;butaneperoxoic acid;hydride
CID 174203200
butanoyl octaneperoxoate
CID 155389347
alumane;hexanediperoxoic acid
CID 173462864
dipentanoyl hexanedioate
CID 174373362
6-(decylamino)-6-oxohexaneperoxoic acid
CID 159894455
hexane-1,2,3,4,5,6-hexol;octadecaneperoxoic acid
CID 174464487

Frequently Asked Questions

What is the IUPAC name of butaneperoxoic acid;hexaneperoxoic acid;pentaneperoxoic acid?
The IUPAC name of butaneperoxoic acid;hexaneperoxoic acid;pentaneperoxoic acid (CID 175089027) is butaneperoxoic acid;hexaneperoxoic acid;pentaneperoxoic acid.
What is the SMILES notation for butaneperoxoic acid;hexaneperoxoic acid;pentaneperoxoic acid?
The canonical SMILES for butaneperoxoic acid;hexaneperoxoic acid;pentaneperoxoic acid is CCCC(=O)OO.CCCCC(=O)OO.CCCCCC(=O)OO.
What is the InChIKey of butaneperoxoic acid;hexaneperoxoic acid;pentaneperoxoic acid?
The InChIKey is BYKJFSTWXMGTHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O3.C5H10O3.C4H8O3/c1-2-3-4-5-6(7)9-8;1-2-3-4-5(6)8-7;1-2-3-4(5)7-6/h8H,2-5H2,1H3;7H,2-4H2,1H3;6H,2-3H2,1H3.
What are the key properties of butaneperoxoic acid;hexaneperoxoic acid;pentaneperoxoic acid?
butaneperoxoic acid;hexaneperoxoic acid;pentaneperoxoic acid has a molecular weight of 354.40 g/mol, XLogP of 3.58, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for butaneperoxoic acid;hexaneperoxoic acid;pentaneperoxoic acid is sourced from PubChem (CID 175089027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).