2-(2-hydroperoxypropoxy)ethyl prop-2-enoate

C8H14O5 — CID 118433563

IUPAC2-(2-hydroperoxypropoxy)ethyl prop-2-enoate
SMILESC=CC(=O)OCCOCC(C)OO
InChIInChI=1S/C8H14O5/c1-3-8(9)12-5-4-11-6-7(2)13-10/h3,7,10H,1,4-6H2,2H3
InChIKeyCBHAADPRZJYKBL-UHFFFAOYSA-N
MW190.19 g/mol
LogP0.61
Rot. Bonds7

About 2-(2-hydroperoxypropoxy)ethyl prop-2-enoate

2-(2-hydroperoxypropoxy)ethyl prop-2-enoate (PubChem CID 118433563) has the molecular formula C8H14O5 and a molecular weight of 190.19 g/mol. Its IUPAC name is 2-(2-hydroperoxypropoxy)ethyl prop-2-enoate.

Molecular Properties

Compound Name2-(2-hydroperoxypropoxy)ethyl prop-2-enoate
PubChem CID118433563
Molecular FormulaC8H14O5
Molecular Weight190.19 g/mol
Exact Mass190.08
IUPAC Name2-(2-hydroperoxypropoxy)ethyl prop-2-enoate
SMILESC=CC(=O)OCCOCC(C)OO
InChIInChI=1S/C8H14O5/c1-3-8(9)12-5-4-11-6-7(2)13-10/h3,7,10H,1,4-6H2,2H3
InChIKeyCBHAADPRZJYKBL-UHFFFAOYSA-N
XLogP0.61
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.19
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

bis(prop-1-ene);2-[2-(2-prop-2-enoyloxyethoxy)propoxy]ethyl prop-2-enoate
CID 118062251
2-[2-[2-(2-prop-2-enoyloxyethoxy)propoxy]propoxy]ethyl prop-2-enoate
CID 154586565
2-(2-aminopropoxy)ethyl prop-2-enoate
CID 54040503
2-(2-bromopropoxy)ethyl prop-2-enoate
CID 57007921
2-(2-prop-2-enoyloxyethoxymethyl)propanedioic acid
CID 172861993
2-[2-(1-ethenoxypropan-2-yloxy)ethoxy]ethyl prop-2-enoate
CID 165147394
2-[2-(hydroxymethyl)-3-(2-prop-2-enoyloxyethoxy)propoxy]ethyl prop-2-enoate
CID 89425808
2-butoxyethyl prop-2-enoate;2-hydroxypropyl prop-2-enoate
CID 88684060
2-[2,2-bis(ethenoxy)ethoxy]ethyl prop-2-enoate
CID 176551024
2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl prop-2-enoate;2-(2-hydroxypropoxy)propan-1-ol
CID 22918006
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoyloxyethylperoxy)ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethoxy]ethyl prop-2-enoate
CID 135130326
2-prop-2-enoyloxyethyl prop-2-enoate;zinc
CID 88622091

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroperoxypropoxy)ethyl prop-2-enoate?
The IUPAC name of 2-(2-hydroperoxypropoxy)ethyl prop-2-enoate (CID 118433563) is 2-(2-hydroperoxypropoxy)ethyl prop-2-enoate.
What is the SMILES notation for 2-(2-hydroperoxypropoxy)ethyl prop-2-enoate?
The canonical SMILES for 2-(2-hydroperoxypropoxy)ethyl prop-2-enoate is C=CC(=O)OCCOCC(C)OO.
What is the InChIKey of 2-(2-hydroperoxypropoxy)ethyl prop-2-enoate?
The InChIKey is CBHAADPRZJYKBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O5/c1-3-8(9)12-5-4-11-6-7(2)13-10/h3,7,10H,1,4-6H2,2H3.
What are the key properties of 2-(2-hydroperoxypropoxy)ethyl prop-2-enoate?
2-(2-hydroperoxypropoxy)ethyl prop-2-enoate has a molecular weight of 190.19 g/mol, XLogP of 0.61, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroperoxypropoxy)ethyl prop-2-enoate is sourced from PubChem (CID 118433563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).