methyl 2-methylprop-2-enoate

C5H8O2 — CID 6658

IUPACmethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC
InChIInChI=1S/C5H8O2/c1-4(2)5(6)7-3/h1H2,2-3H3
InChIKeyVVQNEPGJFQJSBK-UHFFFAOYSA-N
MW100.12 g/mol
LogP0.74
Rot. Bonds1

About methyl 2-methylprop-2-enoate

methyl 2-methylprop-2-enoate (PubChem CID 6658) has the molecular formula C5H8O2 and a molecular weight of 100.12 g/mol. Its IUPAC name is methyl 2-methylprop-2-enoate.

Molecular Properties

Compound Namemethyl 2-methylprop-2-enoate
PubChem CID6658
Molecular FormulaC5H8O2
Molecular Weight100.12 g/mol
Exact Mass100.05
IUPAC Namemethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC
InChIInChI=1S/C5H8O2/c1-4(2)5(6)7-3/h1H2,2-3H3
InChIKeyVVQNEPGJFQJSBK-UHFFFAOYSA-N
XLogP0.74
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.12
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze methyl 2-methylprop-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

Ethyl Methacrylate
CID 7343
Isobutyl Methacrylate
CID 7352
Butyl Methacrylate
CID 7354
Allyl methacrylate
CID 7274
n-Propyl methacrylate
CID 16638
Isopropyl methacrylate
CID 20769
2-Butenoic acid, 2-methyl-, methyl ester, (2E)-
CID 5323652
2-Ethoxyethyl methacrylate
CID 71404
Methacrylic anhydride
CID 12974
tert-Butyl methacrylate
CID 11448
sec-Butyl methacrylate
CID 97732
Neopentyl methacrylate
CID 142759

Frequently Asked Questions

What is the IUPAC name of methyl 2-methylprop-2-enoate?
The IUPAC name of methyl 2-methylprop-2-enoate (CID 6658) is methyl 2-methylprop-2-enoate.
What is the SMILES notation for methyl 2-methylprop-2-enoate?
The canonical SMILES for methyl 2-methylprop-2-enoate is C=C(C)C(=O)OC.
What is the InChIKey of methyl 2-methylprop-2-enoate?
The InChIKey is VVQNEPGJFQJSBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O2/c1-4(2)5(6)7-3/h1H2,2-3H3.
What are the key properties of methyl 2-methylprop-2-enoate?
methyl 2-methylprop-2-enoate has a molecular weight of 100.12 g/mol, XLogP of 0.74, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methylprop-2-enoate is sourced from PubChem (CID 6658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).