2-ethylperoxyethyl 2-methylprop-2-enoate

C8H14O4 — CID 174827257

IUPAC2-ethylperoxyethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOOCC
InChIInChI=1S/C8H14O4/c1-4-11-12-6-5-10-8(9)7(2)3/h2,4-6H2,1,3H3
InChIKeyPANKJRZECMONOI-UHFFFAOYSA-N
MW174.20 g/mol
LogP1.07
Rot. Bonds6

About 2-ethylperoxyethyl 2-methylprop-2-enoate

2-ethylperoxyethyl 2-methylprop-2-enoate (PubChem CID 174827257) has the molecular formula C8H14O4 and a molecular weight of 174.20 g/mol. Its IUPAC name is 2-ethylperoxyethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-ethylperoxyethyl 2-methylprop-2-enoate
PubChem CID174827257
Molecular FormulaC8H14O4
Molecular Weight174.20 g/mol
Exact Mass174.09
IUPAC Name2-ethylperoxyethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOOCC
InChIInChI=1S/C8H14O4/c1-4-11-12-6-5-10-8(9)7(2)3/h2,4-6H2,1,3H3
InChIKeyPANKJRZECMONOI-UHFFFAOYSA-N
XLogP1.07
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 23189778
2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 7979
2-[2-[2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 18762112
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 139628547
ethene;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 173009937
ethane;methoxyethane;2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 21465850
2-(2-methylprop-2-enoyloxy)ethyl 2-methylidenebutanoate
CID 87287527
2-O-[2-(2-methylprop-2-enoyloxy)ethyl] 1-O-propyl oxalate
CID 153485149
ethyl 2-methylprop-2-enoate
CID 130475774
bis(2-methylprop-2-enoic acid);2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 2-methylprop-2-enoate
CID 158009828
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;tridecane
CID 87383190
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate;2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate;2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate;2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate;2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 162171139

Frequently Asked Questions

What is the IUPAC name of 2-ethylperoxyethyl 2-methylprop-2-enoate?
The IUPAC name of 2-ethylperoxyethyl 2-methylprop-2-enoate (CID 174827257) is 2-ethylperoxyethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-ethylperoxyethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-ethylperoxyethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCOOCC.
What is the InChIKey of 2-ethylperoxyethyl 2-methylprop-2-enoate?
The InChIKey is PANKJRZECMONOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O4/c1-4-11-12-6-5-10-8(9)7(2)3/h2,4-6H2,1,3H3.
What are the key properties of 2-ethylperoxyethyl 2-methylprop-2-enoate?
2-ethylperoxyethyl 2-methylprop-2-enoate has a molecular weight of 174.20 g/mol, XLogP of 1.07, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylperoxyethyl 2-methylprop-2-enoate is sourced from PubChem (CID 174827257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).