2-hydroperoxyethyl 2-methylprop-2-enoate

C6H10O4 — CID 18987502

IUPAC2-hydroperoxyethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOO
InChIInChI=1S/C6H10O4/c1-5(2)6(7)9-3-4-10-8/h8H,1,3-4H2,2H3
InChIKeyTXDFGTVQBMTQJY-UHFFFAOYSA-N
MW146.14 g/mol
LogP0.60
Rot. Bonds4

About 2-hydroperoxyethyl 2-methylprop-2-enoate

2-hydroperoxyethyl 2-methylprop-2-enoate (PubChem CID 18987502) has the molecular formula C6H10O4 and a molecular weight of 146.14 g/mol. Its IUPAC name is 2-hydroperoxyethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-hydroperoxyethyl 2-methylprop-2-enoate
PubChem CID18987502
Molecular FormulaC6H10O4
Molecular Weight146.14 g/mol
Exact Mass146.06
IUPAC Name2-hydroperoxyethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOO
InChIInChI=1S/C6H10O4/c1-5(2)6(7)9-3-4-10-8/h8H,1,3-4H2,2H3
InChIKeyTXDFGTVQBMTQJY-UHFFFAOYSA-N
XLogP0.60
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.14
LogP ≤ 50.60
H-Bond Donors ≤ 51
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

ethene;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 173009937
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
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;dodecakis(prop-1-ene)
CID 173326779
2-(3-methylbuta-1,3-dien-2-yloxy)ethyl 2-methylprop-2-enoate
CID 58535870
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;hexakis(prop-1-ene)
CID 173226000
methyl 2-methylprop-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 3080735
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;nonakis(prop-1-ene)
CID 173068986
2-(2-methylprop-2-enoyloxy)ethyl 2-methylidenebutanoate
CID 87287527
2-O-[2-(2-methylprop-2-enoyloxy)ethyl] 1-O-propyl oxalate
CID 153485149
bis[4-(2-methylprop-2-enoyloxy)butyl] oxalate
CID 118147382

Frequently Asked Questions

What is the IUPAC name of 2-hydroperoxyethyl 2-methylprop-2-enoate?
The IUPAC name of 2-hydroperoxyethyl 2-methylprop-2-enoate (CID 18987502) is 2-hydroperoxyethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-hydroperoxyethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-hydroperoxyethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCOO.
What is the InChIKey of 2-hydroperoxyethyl 2-methylprop-2-enoate?
The InChIKey is TXDFGTVQBMTQJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O4/c1-5(2)6(7)9-3-4-10-8/h8H,1,3-4H2,2H3.
What are the key properties of 2-hydroperoxyethyl 2-methylprop-2-enoate?
2-hydroperoxyethyl 2-methylprop-2-enoate has a molecular weight of 146.14 g/mol, XLogP of 0.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroperoxyethyl 2-methylprop-2-enoate is sourced from PubChem (CID 18987502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).