ethenyl acetate;ethyl prop-2-enoate;methyl prop-2-enoate

C13H20O6 — CID 6454541

IUPACethenyl acetate;ethyl prop-2-enoate;methyl prop-2-enoate
SMILESC=CC(=O)OC.C=CC(=O)OCC.C=COC(C)=O
InChIInChI=1S/C5H8O2.2C4H6O2/c1-3-5(6)7-4-2;1-3-4(5)6-2;1-3-6-4(2)5/h3H,1,4H2,2H3;2*3H,1H2,2H3
InChIKeyPUEIANKNEAPNKQ-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.77
Rot. Bonds4

About ethenyl acetate;ethyl prop-2-enoate;methyl prop-2-enoate

ethenyl acetate;ethyl prop-2-enoate;methyl prop-2-enoate (PubChem CID 6454541) has the molecular formula C13H20O6 and a molecular weight of 272.30 g/mol. Its IUPAC name is ethenyl acetate;ethyl prop-2-enoate;methyl prop-2-enoate.

Molecular Properties

Compound Nameethenyl acetate;ethyl prop-2-enoate;methyl prop-2-enoate
PubChem CID6454541
Molecular FormulaC13H20O6
Molecular Weight272.30 g/mol
Exact Mass272.13
IUPAC Nameethenyl acetate;ethyl prop-2-enoate;methyl prop-2-enoate
SMILESC=CC(=O)OC.C=CC(=O)OCC.C=COC(C)=O
InChIInChI=1S/C5H8O2.2C4H6O2/c1-3-5(6)7-4-2;1-3-4(5)6-2;1-3-6-4(2)5/h3H,1,4H2,2H3;2*3H,1H2,2H3
InChIKeyPUEIANKNEAPNKQ-UHFFFAOYSA-N
XLogP1.77
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

Butyl Acrylate
CID 8846
Ethyl Acrylate
CID 8821
Diethyl fumarate
CID 638144
Diethyl Maleate
CID 5271566
Dibutyl maleate
CID 5271569
Tetraethylene glycol diacrylate
CID 28803
Dibutyl fumarate
CID 5271570
Diethylene glycol diacrylate
CID 19996
Tripropylene glycol diacrylate
CID 4128060
n-Propyl acrylate
CID 13550
Ethylene glycol diacrylate
CID 75282
Butanediol diacrylate
CID 70613

Frequently Asked Questions

What is the IUPAC name of ethenyl acetate;ethyl prop-2-enoate;methyl prop-2-enoate?
The IUPAC name of ethenyl acetate;ethyl prop-2-enoate;methyl prop-2-enoate (CID 6454541) is ethenyl acetate;ethyl prop-2-enoate;methyl prop-2-enoate.
What is the SMILES notation for ethenyl acetate;ethyl prop-2-enoate;methyl prop-2-enoate?
The canonical SMILES for ethenyl acetate;ethyl prop-2-enoate;methyl prop-2-enoate is C=CC(=O)OC.C=CC(=O)OCC.C=COC(C)=O.
What is the InChIKey of ethenyl acetate;ethyl prop-2-enoate;methyl prop-2-enoate?
The InChIKey is PUEIANKNEAPNKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O2.2C4H6O2/c1-3-5(6)7-4-2;1-3-4(5)6-2;1-3-6-4(2)5/h3H,1,4H2,2H3;2*3H,1H2,2H3.
What are the key properties of ethenyl acetate;ethyl prop-2-enoate;methyl prop-2-enoate?
ethenyl acetate;ethyl prop-2-enoate;methyl prop-2-enoate has a molecular weight of 272.30 g/mol, XLogP of 1.77, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl acetate;ethyl prop-2-enoate;methyl prop-2-enoate is sourced from PubChem (CID 6454541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).