(Z)-3-(2-propoxyethoxyperoxyperoxyperoxyperoxyperoxy)prop-2-en-1-ol

C8H16O13 — CID 88855413

IUPAC(Z)-3-(2-propoxyethoxyperoxyperoxyperoxyperoxyperoxy)prop-2-en-1-ol
SMILESCCCOCCOOOOOOOOOOO/C=C\CO
InChIInChI=1S/C8H16O13/c1-2-5-10-7-8-12-14-16-18-20-21-19-17-15-13-11-6-3-4-9/h3,6,9H,2,4-5,7-8H2,1H3/b6-3-
InChIKeyLWJHJVPXMUITKZ-UTCJRWHESA-N
MW320.20 g/mol
LogP0.25
Rot. Bonds17

About (Z)-3-(2-propoxyethoxyperoxyperoxyperoxyperoxyperoxy)prop-2-en-1-ol

(Z)-3-(2-propoxyethoxyperoxyperoxyperoxyperoxyperoxy)prop-2-en-1-ol (PubChem CID 88855413) has the molecular formula C8H16O13 and a molecular weight of 320.20 g/mol. Its IUPAC name is (Z)-3-(2-propoxyethoxyperoxyperoxyperoxyperoxyperoxy)prop-2-en-1-ol.

Molecular Properties

Compound Name(Z)-3-(2-propoxyethoxyperoxyperoxyperoxyperoxyperoxy)prop-2-en-1-ol
PubChem CID88855413
Molecular FormulaC8H16O13
Molecular Weight320.20 g/mol
Exact Mass320.06
IUPAC Name(Z)-3-(2-propoxyethoxyperoxyperoxyperoxyperoxyperoxy)prop-2-en-1-ol
SMILESCCCOCCOOOOOOOOOOO/C=C\CO
InChIInChI=1S/C8H16O13/c1-2-5-10-7-8-12-14-16-18-20-21-19-17-15-13-11-6-3-4-9/h3,6,9H,2,4-5,7-8H2,1H3/b6-3-
InChIKeyLWJHJVPXMUITKZ-UTCJRWHESA-N
XLogP0.25
TPSA130.99 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds17
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.20
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

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)-3-(2-propoxyethoxyperoxyperoxyperoxyperoxyperoxy)prop-2-en-1-ol?
The IUPAC name of (Z)-3-(2-propoxyethoxyperoxyperoxyperoxyperoxyperoxy)prop-2-en-1-ol (CID 88855413) is (Z)-3-(2-propoxyethoxyperoxyperoxyperoxyperoxyperoxy)prop-2-en-1-ol.
What is the SMILES notation for (Z)-3-(2-propoxyethoxyperoxyperoxyperoxyperoxyperoxy)prop-2-en-1-ol?
The canonical SMILES for (Z)-3-(2-propoxyethoxyperoxyperoxyperoxyperoxyperoxy)prop-2-en-1-ol is CCCOCCOOOOOOOOOOO/C=C\CO.
What is the InChIKey of (Z)-3-(2-propoxyethoxyperoxyperoxyperoxyperoxyperoxy)prop-2-en-1-ol?
The InChIKey is LWJHJVPXMUITKZ-UTCJRWHESA-N. The full InChI is InChI=1S/C8H16O13/c1-2-5-10-7-8-12-14-16-18-20-21-19-17-15-13-11-6-3-4-9/h3,6,9H,2,4-5,7-8H2,1H3/b6-3-.
What are the key properties of (Z)-3-(2-propoxyethoxyperoxyperoxyperoxyperoxyperoxy)prop-2-en-1-ol?
(Z)-3-(2-propoxyethoxyperoxyperoxyperoxyperoxyperoxy)prop-2-en-1-ol has a molecular weight of 320.20 g/mol, XLogP of 0.25, 17 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(2-propoxyethoxyperoxyperoxyperoxyperoxyperoxy)prop-2-en-1-ol is sourced from PubChem (CID 88855413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).