[2-ethyl-5-methylperoxy-2-(prop-2-enoyloxymethyl)pentyl] prop-2-enoate

C15H24O6 — CID 121324124

IUPAC[2-ethyl-5-methylperoxy-2-(prop-2-enoyloxymethyl)pentyl] prop-2-enoate
SMILESC=CC(=O)OCC(CC)(CCCOOC)COC(=O)C=C
InChIInChI=1S/C15H24O6/c1-5-13(16)19-11-15(7-3,9-8-10-21-18-4)12-20-14(17)6-2/h5-6H,1-2,7-12H2,3-4H3
InChIKeyQVPAZNZIXVGOTR-UHFFFAOYSA-N
MW300.35 g/mol
LogP2.20
Rot. Bonds12

About [2-ethyl-5-methylperoxy-2-(prop-2-enoyloxymethyl)pentyl] prop-2-enoate

[2-ethyl-5-methylperoxy-2-(prop-2-enoyloxymethyl)pentyl] prop-2-enoate (PubChem CID 121324124) has the molecular formula C15H24O6 and a molecular weight of 300.35 g/mol. Its IUPAC name is [2-ethyl-5-methylperoxy-2-(prop-2-enoyloxymethyl)pentyl] prop-2-enoate.

Molecular Properties

Compound Name[2-ethyl-5-methylperoxy-2-(prop-2-enoyloxymethyl)pentyl] prop-2-enoate
PubChem CID121324124
Molecular FormulaC15H24O6
Molecular Weight300.35 g/mol
Exact Mass300.16
IUPAC Name[2-ethyl-5-methylperoxy-2-(prop-2-enoyloxymethyl)pentyl] prop-2-enoate
SMILESC=CC(=O)OCC(CC)(CCCOOC)COC(=O)C=C
InChIInChI=1S/C15H24O6/c1-5-13(16)19-11-15(7-3,9-8-10-21-18-4)12-20-14(17)6-2/h5-6H,1-2,7-12H2,3-4H3
InChIKeyQVPAZNZIXVGOTR-UHFFFAOYSA-N
XLogP2.20
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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'}

Analyze [2-ethyl-5-methylperoxy-2-(prop-2-enoyloxymethyl)pentyl] prop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2-bis(prop-2-enoyloxymethyl)butyl prop-2-enoate;methane;4-prop-2-enoyloxybutyl prop-2-enoate;2-prop-2-enoyloxyethyl prop-2-enoate
CID 161238542
ethane-1,2-diamine;[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propyl] prop-2-enoate
CID 131736476
boranuide;[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propyl] prop-2-enoate
CID 161197836
bis[2,2-bis(prop-2-enoyloxymethyl)butyl] (E)-hex-3-enedioate
CID 170682315
2,2-bis(prop-2-enoyloxymethyl)butyl but-3-enoate
CID 166944180
2,2-bis(prop-2-enoyloxymethyl)butyl 2,2-dimethyl-3-prop-2-enoyloxypropanoate
CID 90842874
[6-oxo-2-(4-oxohex-5-enyl)-2-(prop-2-enoyloxymethyl)oct-7-enyl] prop-2-enoate
CID 118181174
2-[2-[2-[2-[2-[2-[2,2-bis[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]butoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl prop-2-enoate
CID 173016029
(2,2-dimethyl-3-prop-2-enoyloxypropyl) prop-2-enoate
CID 16680
[2-[[2-[6-[2,2-bis[6-[[3-prop-2-enoyloxy-2-[[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propoxy]methyl]-2-(prop-2-enoyloxymethyl)propoxy]carbonylamino]hexylcarbamoyloxymethyl]butoxycarbonylamino]hexylcarbamoyloxymethyl]-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propoxy]methyl]-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propyl] prop-2-enoate
CID 170013040
2,2-bis[3-(2-aminoethylamino)propanoyloxymethyl]butyl 3-(2-aminoethylamino)propanoate;2,2-bis(prop-2-enoyloxymethyl)butyl prop-2-enoate;ethane-1,2-diamine
CID 159790625
2,2-bis(prop-2-enoyloxymethyl)butyl prop-2-enoate;hepta-2,5-dienediamide
CID 90247760

Frequently Asked Questions

What is the IUPAC name of [2-ethyl-5-methylperoxy-2-(prop-2-enoyloxymethyl)pentyl] prop-2-enoate?
The IUPAC name of [2-ethyl-5-methylperoxy-2-(prop-2-enoyloxymethyl)pentyl] prop-2-enoate (CID 121324124) is [2-ethyl-5-methylperoxy-2-(prop-2-enoyloxymethyl)pentyl] prop-2-enoate.
What is the SMILES notation for [2-ethyl-5-methylperoxy-2-(prop-2-enoyloxymethyl)pentyl] prop-2-enoate?
The canonical SMILES for [2-ethyl-5-methylperoxy-2-(prop-2-enoyloxymethyl)pentyl] prop-2-enoate is C=CC(=O)OCC(CC)(CCCOOC)COC(=O)C=C.
What is the InChIKey of [2-ethyl-5-methylperoxy-2-(prop-2-enoyloxymethyl)pentyl] prop-2-enoate?
The InChIKey is QVPAZNZIXVGOTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O6/c1-5-13(16)19-11-15(7-3,9-8-10-21-18-4)12-20-14(17)6-2/h5-6H,1-2,7-12H2,3-4H3.
What are the key properties of [2-ethyl-5-methylperoxy-2-(prop-2-enoyloxymethyl)pentyl] prop-2-enoate?
[2-ethyl-5-methylperoxy-2-(prop-2-enoyloxymethyl)pentyl] prop-2-enoate has a molecular weight of 300.35 g/mol, XLogP of 2.20, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-ethyl-5-methylperoxy-2-(prop-2-enoyloxymethyl)pentyl] prop-2-enoate is sourced from PubChem (CID 121324124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).