1-ethenylperoxyprop-2-en-1-ol

C5H8O3 — CID 88593785

IUPAC1-ethenylperoxyprop-2-en-1-ol
SMILESC=COOC(O)C=C
InChIInChI=1S/C5H8O3/c1-3-5(6)8-7-4-2/h3-6H,1-2H2
InChIKeyYJQLGXMPGUMGNP-UHFFFAOYSA-N
MW116.12 g/mol
LogP0.58
Rot. Bonds4

About 1-ethenylperoxyprop-2-en-1-ol

1-ethenylperoxyprop-2-en-1-ol (PubChem CID 88593785) has the molecular formula C5H8O3 and a molecular weight of 116.12 g/mol. Its IUPAC name is 1-ethenylperoxyprop-2-en-1-ol.

Molecular Properties

Compound Name1-ethenylperoxyprop-2-en-1-ol
PubChem CID88593785
Molecular FormulaC5H8O3
Molecular Weight116.12 g/mol
Exact Mass116.05
IUPAC Name1-ethenylperoxyprop-2-en-1-ol
SMILESC=COOC(O)C=C
InChIInChI=1S/C5H8O3/c1-3-5(6)8-7-4-2/h3-6H,1-2H2
InChIKeyYJQLGXMPGUMGNP-UHFFFAOYSA-N
XLogP0.58
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.12
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(1-hydroxyprop-2-enoxy)prop-2-en-1-ol
CID 22251489
1-hydroxyprop-2-enoxy-(1-hydroxyprop-2-enyl)-oxophosphanium
CID 88757330
1-hydroxyprop-2-enyl hydrogen carbonate
CID 87136419
2-(1-hydroxyprop-2-enoxy)propan-2-ol
CID 174666718
bis(1-hydroxyprop-2-enyl) (E)-but-2-enedioate
CID 87098165
hydroxy-(1-hydroxyprop-2-enoxy)-oxophosphanium
CID 87157731
1-ethenylperoxyprop-2-enylbenzene
CID 88766923
2-(1-hydroxyprop-2-enoxy)but-3-enoic acid
CID 87617356
(4S)-hexa-1,5-diene-3,4-diol
CID 15562511
1-(2,2,2-trifluoroethoxy)prop-2-en-1-ol
CID 54215711
1-(2-methylprop-2-enoxy)prop-2-en-1-ol
CID 56607724
hexakis(prop-2-ene-1,1-diol);zinc;hydrate
CID 177286598

Frequently Asked Questions

What is the IUPAC name of 1-ethenylperoxyprop-2-en-1-ol?
The IUPAC name of 1-ethenylperoxyprop-2-en-1-ol (CID 88593785) is 1-ethenylperoxyprop-2-en-1-ol.
What is the SMILES notation for 1-ethenylperoxyprop-2-en-1-ol?
The canonical SMILES for 1-ethenylperoxyprop-2-en-1-ol is C=COOC(O)C=C.
What is the InChIKey of 1-ethenylperoxyprop-2-en-1-ol?
The InChIKey is YJQLGXMPGUMGNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O3/c1-3-5(6)8-7-4-2/h3-6H,1-2H2.
What are the key properties of 1-ethenylperoxyprop-2-en-1-ol?
1-ethenylperoxyprop-2-en-1-ol has a molecular weight of 116.12 g/mol, XLogP of 0.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenylperoxyprop-2-en-1-ol is sourced from PubChem (CID 88593785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).