ethyl 2-methylprop-2-enoate;ethyl prop-2-enoate

C11H18O4 — CID 6453333

IUPACethyl 2-methylprop-2-enoate;ethyl prop-2-enoate
SMILESC=C(C)C(=O)OCC.C=CC(=O)OCC
InChIInChI=1S/C6H10O2.C5H8O2/c1-4-8-6(7)5(2)3;1-3-5(6)7-4-2/h2,4H2,1,3H3;3H,1,4H2,2H3
InChIKeyHLSJDVLYWYNVNP-UHFFFAOYSA-N
MW214.26 g/mol
LogP1.86
Rot. Bonds4

About ethyl 2-methylprop-2-enoate;ethyl prop-2-enoate

ethyl 2-methylprop-2-enoate;ethyl prop-2-enoate (PubChem CID 6453333) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is ethyl 2-methylprop-2-enoate;ethyl prop-2-enoate.

Molecular Properties

Compound Nameethyl 2-methylprop-2-enoate;ethyl prop-2-enoate
PubChem CID6453333
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Nameethyl 2-methylprop-2-enoate;ethyl prop-2-enoate
SMILESC=C(C)C(=O)OCC.C=CC(=O)OCC
InChIInChI=1S/C6H10O2.C5H8O2/c1-4-8-6(7)5(2)3;1-3-5(6)7-4-2/h2,4H2,1,3H3;3H,1,4H2,2H3
InChIKeyHLSJDVLYWYNVNP-UHFFFAOYSA-N
XLogP1.86
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze ethyl 2-methylprop-2-enoate;ethyl 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

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
1,3-Butyleneglycol dimethacrylate
CID 70916
Tetraethylene glycol, dimethacrylate
CID 7980
Neopentyl glycol diacrylate
CID 16680

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methylprop-2-enoate;ethyl prop-2-enoate?
The IUPAC name of ethyl 2-methylprop-2-enoate;ethyl prop-2-enoate (CID 6453333) is ethyl 2-methylprop-2-enoate;ethyl prop-2-enoate.
What is the SMILES notation for ethyl 2-methylprop-2-enoate;ethyl prop-2-enoate?
The canonical SMILES for ethyl 2-methylprop-2-enoate;ethyl prop-2-enoate is C=C(C)C(=O)OCC.C=CC(=O)OCC.
What is the InChIKey of ethyl 2-methylprop-2-enoate;ethyl prop-2-enoate?
The InChIKey is HLSJDVLYWYNVNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2.C5H8O2/c1-4-8-6(7)5(2)3;1-3-5(6)7-4-2/h2,4H2,1,3H3;3H,1,4H2,2H3.
What are the key properties of ethyl 2-methylprop-2-enoate;ethyl prop-2-enoate?
ethyl 2-methylprop-2-enoate;ethyl prop-2-enoate has a molecular weight of 214.26 g/mol, XLogP of 1.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methylprop-2-enoate;ethyl prop-2-enoate is sourced from PubChem (CID 6453333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).