1-[2-[(Z)-prop-1-enoxy]peroxyethoxy]propane

C8H16O4 — CID 59033734

IUPAC1-[2-[(Z)-prop-1-enoxy]peroxyethoxy]propane
SMILESC/C=C\OOOCCOCCC
InChIInChI=1S/C8H16O4/c1-3-5-9-7-8-11-12-10-6-4-2/h4,6H,3,5,7-8H2,1-2H3/b6-4-
InChIKeyOHAAHEOESDRECV-XQRVVYSFSA-N
MW176.21 g/mol
LogP1.83
Rot. Bonds8

About 1-[2-[(Z)-prop-1-enoxy]peroxyethoxy]propane

1-[2-[(Z)-prop-1-enoxy]peroxyethoxy]propane (PubChem CID 59033734) has the molecular formula C8H16O4 and a molecular weight of 176.21 g/mol. Its IUPAC name is 1-[2-[(Z)-prop-1-enoxy]peroxyethoxy]propane.

Molecular Properties

Compound Name1-[2-[(Z)-prop-1-enoxy]peroxyethoxy]propane
PubChem CID59033734
Molecular FormulaC8H16O4
Molecular Weight176.21 g/mol
Exact Mass176.10
IUPAC Name1-[2-[(Z)-prop-1-enoxy]peroxyethoxy]propane
SMILESC/C=C\OOOCCOCCC
InChIInChI=1S/C8H16O4/c1-3-5-9-7-8-11-12-10-6-4-2/h4,6H,3,5,7-8H2,1-2H3/b6-4-
InChIKeyOHAAHEOESDRECV-XQRVVYSFSA-N
XLogP1.83
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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Related Compounds

(Z)-3-(2-propoxyethoxyperoxyperoxyperoxyperoxyperoxy)prop-2-en-1-ol
CID 88855413
(Z)-2-(2-butoxyethylperoxyperoxyperoxyperoxyperoxyperoxyperoxy)ethenol
CID 88855414
1-prop-1-enylperoxybutane
CID 161452621
phosphoric acid;1-prop-1-enoxyperoxyperoxyperoxyoctadecane
CID 173006830
phosphoric acid;1-prop-1-enoxyperoxyperoxyperoxytetradecane
CID 173006854
1-ethylperoxyprop-1-ene
CID 76706351
1-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propane
CID 88861501
ethane;propane;1-propoxypropane
CID 143757970
1-methoxy-2-(2-methoxyethoxy)ethane;1-propoxypropane
CID 160614249
6-propoxyhex-2-ene
CID 90940271
11-methyl-1-prop-1-enoxyperoxyperoxyperoxyperoxydodecane
CID 173006752
8-methyl-1-prop-1-enoxyperoxyperoxynonane
CID 173006774

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(Z)-prop-1-enoxy]peroxyethoxy]propane?
The IUPAC name of 1-[2-[(Z)-prop-1-enoxy]peroxyethoxy]propane (CID 59033734) is 1-[2-[(Z)-prop-1-enoxy]peroxyethoxy]propane.
What is the SMILES notation for 1-[2-[(Z)-prop-1-enoxy]peroxyethoxy]propane?
The canonical SMILES for 1-[2-[(Z)-prop-1-enoxy]peroxyethoxy]propane is C/C=C\OOOCCOCCC.
What is the InChIKey of 1-[2-[(Z)-prop-1-enoxy]peroxyethoxy]propane?
The InChIKey is OHAAHEOESDRECV-XQRVVYSFSA-N. The full InChI is InChI=1S/C8H16O4/c1-3-5-9-7-8-11-12-10-6-4-2/h4,6H,3,5,7-8H2,1-2H3/b6-4-.
What are the key properties of 1-[2-[(Z)-prop-1-enoxy]peroxyethoxy]propane?
1-[2-[(Z)-prop-1-enoxy]peroxyethoxy]propane has a molecular weight of 176.21 g/mol, XLogP of 1.83, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(Z)-prop-1-enoxy]peroxyethoxy]propane is sourced from PubChem (CID 59033734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).