Acetoxy ethyl methacrylate

C8H12O4 — CID 2753138

IUPACethyl (E)-3-acetyloxy-2-methylprop-2-enoate
SMILESCCOC(=O)/C(=C/OC(=O)C)/C
InChIInChI=1S/C8H12O4/c1-4-11-8(10)6(2)5-12-7(3)9/h5H,4H2,1-3H3/b6-5+
InChIKeySIYPMYJZYAOWRF-AATRIKPKSA-N
MW172.18 g/mol
LogP0.80
Rot. Bonds5

About Acetoxy ethyl methacrylate

Acetoxy ethyl methacrylate (PubChem CID 2753138) has the molecular formula C8H12O4 and a molecular weight of 172.18 g/mol. Its IUPAC name is ethyl (E)-3-acetyloxy-2-methylprop-2-enoate.

Molecular Properties

Compound NameAcetoxy ethyl methacrylate
PubChem CID2753138
Molecular FormulaC8H12O4
Molecular Weight172.18 g/mol
Exact Mass172.07
IUPAC Nameethyl (E)-3-acetyloxy-2-methylprop-2-enoate
SMILESCCOC(=O)/C(=C/OC(=O)C)/C
InChIInChI=1S/C8H12O4/c1-4-11-8(10)6(2)5-12-7(3)9/h5H,4H2,1-3H3/b6-5+
InChIKeySIYPMYJZYAOWRF-AATRIKPKSA-N
XLogP0.80
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity205

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Ethylene glycol dimethacrylate
CID 7355
Triethylene Glycol Dimethacrylate
CID 7979
Ethyl Methacrylate
CID 7343
Isobutyl Methacrylate
CID 7352
Butanediol dimethacrylate
CID 16387
Diethylene glycol dimethacrylate
CID 16891
Butyl Methacrylate
CID 7354
Allyl methacrylate
CID 7274
n-Propyl methacrylate
CID 16638
Tetraethylene glycol, dimethacrylate
CID 7980
Isopropyl methacrylate
CID 20769
2-Ethoxyethyl methacrylate
CID 71404

Frequently Asked Questions

What is the IUPAC name of Acetoxy ethyl methacrylate?
The IUPAC name of Acetoxy ethyl methacrylate (CID 2753138) is ethyl (E)-3-acetyloxy-2-methylprop-2-enoate.
What is the SMILES notation for Acetoxy ethyl methacrylate?
The canonical SMILES for Acetoxy ethyl methacrylate is CCOC(=O)/C(=C/OC(=O)C)/C.
What is the InChIKey of Acetoxy ethyl methacrylate?
The InChIKey is SIYPMYJZYAOWRF-AATRIKPKSA-N. The full InChI is InChI=1S/C8H12O4/c1-4-11-8(10)6(2)5-12-7(3)9/h5H,4H2,1-3H3/b6-5+.
What are the key properties of Acetoxy ethyl methacrylate?
Acetoxy ethyl methacrylate has a molecular weight of 172.18 g/mol, XLogP of 0.80, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for Acetoxy ethyl methacrylate is sourced from PubChem (CID 2753138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).