(Z)-2-(2-butoxyethylperoxyperoxyperoxyperoxyperoxyperoxyperoxy)ethenol

C8H16O16 — CID 88855414

IUPAC(Z)-2-(2-butoxyethylperoxyperoxyperoxyperoxyperoxyperoxyperoxy)ethenol
SMILESCCCCOCCOOOOOOOOOOOOOO/C=C\O
InChIInChI=1S/C8H16O16/c1-2-3-5-10-7-8-12-14-16-18-20-22-24-23-21-19-17-15-13-11-6-4-9/h4,6,9H,2-3,5,7-8H2,1H3/b6-4-
InChIKeyIPNSBLBKAHPDPP-XQRVVYSFSA-N
MW368.20 g/mol
LogP0.96
Rot. Bonds20

About (Z)-2-(2-butoxyethylperoxyperoxyperoxyperoxyperoxyperoxyperoxy)ethenol

(Z)-2-(2-butoxyethylperoxyperoxyperoxyperoxyperoxyperoxyperoxy)ethenol (PubChem CID 88855414) has the molecular formula C8H16O16 and a molecular weight of 368.20 g/mol. Its IUPAC name is (Z)-2-(2-butoxyethylperoxyperoxyperoxyperoxyperoxyperoxyperoxy)ethenol.

Molecular Properties

Compound Name(Z)-2-(2-butoxyethylperoxyperoxyperoxyperoxyperoxyperoxyperoxy)ethenol
PubChem CID88855414
Molecular FormulaC8H16O16
Molecular Weight368.20 g/mol
Exact Mass368.04
IUPAC Name(Z)-2-(2-butoxyethylperoxyperoxyperoxyperoxyperoxyperoxyperoxy)ethenol
SMILESCCCCOCCOOOOOOOOOOOOOO/C=C\O
InChIInChI=1S/C8H16O16/c1-2-3-5-10-7-8-12-14-16-18-20-22-24-23-21-19-17-15-13-11-6-4-9/h4,6,9H,2-3,5,7-8H2,1H3/b6-4-
InChIKeyIPNSBLBKAHPDPP-XQRVVYSFSA-N
XLogP0.96
TPSA158.68 Ų
H-Bond Donors1
H-Bond Acceptors16
Rotatable Bonds20
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.20
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', '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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Frequently Asked Questions

What is the IUPAC name of (Z)-2-(2-butoxyethylperoxyperoxyperoxyperoxyperoxyperoxyperoxy)ethenol?
The IUPAC name of (Z)-2-(2-butoxyethylperoxyperoxyperoxyperoxyperoxyperoxyperoxy)ethenol (CID 88855414) is (Z)-2-(2-butoxyethylperoxyperoxyperoxyperoxyperoxyperoxyperoxy)ethenol.
What is the SMILES notation for (Z)-2-(2-butoxyethylperoxyperoxyperoxyperoxyperoxyperoxyperoxy)ethenol?
The canonical SMILES for (Z)-2-(2-butoxyethylperoxyperoxyperoxyperoxyperoxyperoxyperoxy)ethenol is CCCCOCCOOOOOOOOOOOOOO/C=C\O.
What is the InChIKey of (Z)-2-(2-butoxyethylperoxyperoxyperoxyperoxyperoxyperoxyperoxy)ethenol?
The InChIKey is IPNSBLBKAHPDPP-XQRVVYSFSA-N. The full InChI is InChI=1S/C8H16O16/c1-2-3-5-10-7-8-12-14-16-18-20-22-24-23-21-19-17-15-13-11-6-4-9/h4,6,9H,2-3,5,7-8H2,1H3/b6-4-.
What are the key properties of (Z)-2-(2-butoxyethylperoxyperoxyperoxyperoxyperoxyperoxyperoxy)ethenol?
(Z)-2-(2-butoxyethylperoxyperoxyperoxyperoxyperoxyperoxyperoxy)ethenol has a molecular weight of 368.20 g/mol, XLogP of 0.96, 20 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(2-butoxyethylperoxyperoxyperoxyperoxyperoxyperoxyperoxy)ethenol is sourced from PubChem (CID 88855414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).