(Z)-2-[2-[3-[1-[1-[ethoxy(2-propoxypropoxy)methoxy]propan-2-yloxy]propan-2-yloxy]propoxy]ethoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxy]ethenol

C22H44O27 — CID 140584731

IUPAC(Z)-2-[2-[3-[1-[1-[ethoxy(2-propoxypropoxy)methoxy]propan-2-yloxy]propan-2-yloxy]propoxy]ethoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxy]ethenol
SMILESCCCOC(C)COC(OCC)OCC(C)OCC(C)OCCCOCCOOOOOOOOOOOOOOOOOOO/C=C\O
InChIInChI=1S/C22H44O27/c1-6-10-26-20(4)17-29-22(25-7-2)30-18-21(5)28-16-19(3)27-12-8-11-24-14-15-32-34-36-38-40-42-44-46-48-49-47-45-43-41-39-37-35-33-31-13-9-23/h9,13,19-23H,6-8,10-12,14-18H2,1-5H3/b13-9-
InChIKeyHICUEWAMPIXVQT-LCYFTJDESA-N
MW740.57 g/mol
LogP2.19
Rot. Bonds41

About (Z)-2-[2-[3-[1-[1-[ethoxy(2-propoxypropoxy)methoxy]propan-2-yloxy]propan-2-yloxy]propoxy]ethoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxy]ethenol

(Z)-2-[2-[3-[1-[1-[ethoxy(2-propoxypropoxy)methoxy]propan-2-yloxy]propan-2-yloxy]propoxy]ethoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxy]ethenol (PubChem CID 140584731) has the molecular formula C22H44O27 and a molecular weight of 740.57 g/mol. Its IUPAC name is (Z)-2-[2-[3-[1-[1-[ethoxy(2-propoxypropoxy)methoxy]propan-2-yloxy]propan-2-yloxy]propoxy]ethoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxy]ethenol.

Molecular Properties

Compound Name(Z)-2-[2-[3-[1-[1-[ethoxy(2-propoxypropoxy)methoxy]propan-2-yloxy]propan-2-yloxy]propoxy]ethoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxy]ethenol
PubChem CID140584731
Molecular FormulaC22H44O27
Molecular Weight740.57 g/mol
Exact Mass740.21
IUPAC Name(Z)-2-[2-[3-[1-[1-[ethoxy(2-propoxypropoxy)methoxy]propan-2-yloxy]propan-2-yloxy]propoxy]ethoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxy]ethenol
SMILESCCCOC(C)COC(OCC)OCC(C)OCC(C)OCCCOCCOOOOOOOOOOOOOOOOOOO/C=C\O
InChIInChI=1S/C22H44O27/c1-6-10-26-20(4)17-29-22(25-7-2)30-18-21(5)28-16-19(3)27-12-8-11-24-14-15-32-34-36-38-40-42-44-46-48-49-47-45-43-41-39-37-35-33-31-13-9-23/h9,13,19-23H,6-8,10-12,14-18H2,1-5H3/b13-9-
InChIKeyHICUEWAMPIXVQT-LCYFTJDESA-N
XLogP2.19
TPSA260.21 Ų
H-Bond Donors1
H-Bond Acceptors27
Rotatable Bonds41
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500740.57
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze (Z)-2-[2-[3-[1-[1-[ethoxy(2-propoxypropoxy)methoxy]propan-2-yloxy]propan-2-yloxy]propoxy]ethoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxy]ethenol with MolForge

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Related Compounds

(Z)-2-(2-butoxyethylperoxyperoxyperoxyperoxyperoxyperoxyperoxy)ethenol
CID 88855414
2-propoxy-1-[2-(2-propoxypropoxy)ethoxy]propane
CID 87065837
2-[2-[2-[2-(2-propoxypropoxy)propoxy]propoxy]propoxy]propan-1-ol
CID 87591136
2-[2-[2-[2-[2-[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 101170306
1,3-bis[2-[(Z)-2-octadecoxyethenyl]peroxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyethoxy]propan-2-ol
CID 58112349
1-[1-[1-[1-(1-hexoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]decane
CID 150016958
1-[2-(2-decoxypropoxy)propoxy]decane
CID 19693399
1,3-diethoxy-2,2-dimethylpropane;bis(1,2-diethoxyethane);1,6-diethoxyhexane;1,2-diethoxypropane;1,3-diethoxypropane;1-ethoxy-2-(2-ethoxyethoxy)ethane;1-ethoxy-2-propoxypropane
CID 158810066
1-[2-[(Z)-prop-1-enoxy]peroxyethoxy]propane
CID 59033734
1-(2-propoxypropoxy)pentane
CID 22002926
1-[1-(1-ethoxypropan-2-yloxy)propan-2-yloxy]hexane
CID 155168253
1-[1-(1-propoxypropan-2-yloxy)propan-2-yloxy]hexane
CID 57074955

Frequently Asked Questions

What is the IUPAC name of (Z)-2-[2-[3-[1-[1-[ethoxy(2-propoxypropoxy)methoxy]propan-2-yloxy]propan-2-yloxy]propoxy]ethoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxy]ethenol?
The IUPAC name of (Z)-2-[2-[3-[1-[1-[ethoxy(2-propoxypropoxy)methoxy]propan-2-yloxy]propan-2-yloxy]propoxy]ethoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxy]ethenol (CID 140584731) is (Z)-2-[2-[3-[1-[1-[ethoxy(2-propoxypropoxy)methoxy]propan-2-yloxy]propan-2-yloxy]propoxy]ethoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxy]ethenol.
What is the SMILES notation for (Z)-2-[2-[3-[1-[1-[ethoxy(2-propoxypropoxy)methoxy]propan-2-yloxy]propan-2-yloxy]propoxy]ethoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxy]ethenol?
The canonical SMILES for (Z)-2-[2-[3-[1-[1-[ethoxy(2-propoxypropoxy)methoxy]propan-2-yloxy]propan-2-yloxy]propoxy]ethoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxy]ethenol is CCCOC(C)COC(OCC)OCC(C)OCC(C)OCCCOCCOOOOOOOOOOOOOOOOOOO/C=C\O.
What is the InChIKey of (Z)-2-[2-[3-[1-[1-[ethoxy(2-propoxypropoxy)methoxy]propan-2-yloxy]propan-2-yloxy]propoxy]ethoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxy]ethenol?
The InChIKey is HICUEWAMPIXVQT-LCYFTJDESA-N. The full InChI is InChI=1S/C22H44O27/c1-6-10-26-20(4)17-29-22(25-7-2)30-18-21(5)28-16-19(3)27-12-8-11-24-14-15-32-34-36-38-40-42-44-46-48-49-47-45-43-41-39-37-35-33-31-13-9-23/h9,13,19-23H,6-8,10-12,14-18H2,1-5H3/b13-9-.
What are the key properties of (Z)-2-[2-[3-[1-[1-[ethoxy(2-propoxypropoxy)methoxy]propan-2-yloxy]propan-2-yloxy]propoxy]ethoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxy]ethenol?
(Z)-2-[2-[3-[1-[1-[ethoxy(2-propoxypropoxy)methoxy]propan-2-yloxy]propan-2-yloxy]propoxy]ethoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxy]ethenol has a molecular weight of 740.57 g/mol, XLogP of 2.19, 41 rotatable bonds, 1 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[2-[3-[1-[1-[ethoxy(2-propoxypropoxy)methoxy]propan-2-yloxy]propan-2-yloxy]propoxy]ethoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxy]ethenol is sourced from PubChem (CID 140584731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).