2-prop-2-enylperoxyethanol

C5H10O3 — CID 59128215

IUPAC2-prop-2-enylperoxyethanol
SMILESC=CCOOCCO
InChIInChI=1S/C5H10O3/c1-2-4-7-8-5-3-6/h2,6H,1,3-5H2
InChIKeyTWIIDVWBXDHWMS-UHFFFAOYSA-N
MW118.13 g/mol
LogP0.11
Rot. Bonds5

About 2-prop-2-enylperoxyethanol

2-prop-2-enylperoxyethanol (PubChem CID 59128215) has the molecular formula C5H10O3 and a molecular weight of 118.13 g/mol. Its IUPAC name is 2-prop-2-enylperoxyethanol.

Molecular Properties

Compound Name2-prop-2-enylperoxyethanol
PubChem CID59128215
Molecular FormulaC5H10O3
Molecular Weight118.13 g/mol
Exact Mass118.06
IUPAC Name2-prop-2-enylperoxyethanol
SMILESC=CCOOCCO
InChIInChI=1S/C5H10O3/c1-2-4-7-8-5-3-6/h2,6H,1,3-5H2
InChIKeyTWIIDVWBXDHWMS-UHFFFAOYSA-N
XLogP0.11
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.13
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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

2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 14619770
2-[2-[2-[2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 14619769
3-ethenoxyprop-1-ene;2-(2-hydroxyethoxy)ethanol
CID 86746415
sodium;hydride;2-(2-hydroxyethylperoxy)ethanol
CID 174491378
2-(2-hydroxyethylperoxy)ethanol;methoxymethane
CID 174905336
2-[2-[2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol;sulfuric acid
CID 88726836
bis(prop-2-enyl) carbonate;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol
CID 22918048
4-prop-2-enylperoxybutyl prop-2-enoate
CID 20675769
2-[2-(2-hydroxyethoxy)ethoxy]ethyl prop-2-enyl carbonate
CID 91326710
prop-2-enyl 3-[2-(2-hydroxyethoxy)ethoxy]propanoate
CID 174869989
prop-2-enyl 3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propanoate
CID 88876740
prop-2-en-1-ol;stannane
CID 173011847

Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enylperoxyethanol?
The IUPAC name of 2-prop-2-enylperoxyethanol (CID 59128215) is 2-prop-2-enylperoxyethanol.
What is the SMILES notation for 2-prop-2-enylperoxyethanol?
The canonical SMILES for 2-prop-2-enylperoxyethanol is C=CCOOCCO.
What is the InChIKey of 2-prop-2-enylperoxyethanol?
The InChIKey is TWIIDVWBXDHWMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O3/c1-2-4-7-8-5-3-6/h2,6H,1,3-5H2.
What are the key properties of 2-prop-2-enylperoxyethanol?
2-prop-2-enylperoxyethanol has a molecular weight of 118.13 g/mol, XLogP of 0.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enylperoxyethanol is sourced from PubChem (CID 59128215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).