methyl 2-methylprop-2-enoate;propan-2-one

C8H14O3 — CID 18939878

IUPACmethyl 2-methylprop-2-enoate;propan-2-one
SMILESC=C(C)C(=O)OC.CC(C)=O
InChIInChI=1S/C5H8O2.C3H6O/c1-4(2)5(6)7-3;1-3(2)4/h1H2,2-3H3;1-2H3
InChIKeyGVHMOGCGJLUOMF-UHFFFAOYSA-N
MW158.20 g/mol
LogP1.33
Rot. Bonds1

About methyl 2-methylprop-2-enoate;propan-2-one

methyl 2-methylprop-2-enoate;propan-2-one (PubChem CID 18939878) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is methyl 2-methylprop-2-enoate;propan-2-one.

Molecular Properties

Compound Namemethyl 2-methylprop-2-enoate;propan-2-one
PubChem CID18939878
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Namemethyl 2-methylprop-2-enoate;propan-2-one
SMILESC=C(C)C(=O)OC.CC(C)=O
InChIInChI=1S/C5H8O2.C3H6O/c1-4(2)5(6)7-3;1-3(2)4/h1H2,2-3H3;1-2H3
InChIKeyGVHMOGCGJLUOMF-UHFFFAOYSA-N
XLogP1.33
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl 2-methylprop-2-enoate;propan-2-one 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

methane;bis(methyl 2-methylprop-2-enoate)
CID 159008219
methyl 2-methylprop-2-enoate;nickel
CID 88732958
methyl 2-methylprop-2-enoate;phosphane
CID 158704529
methyl 2-methylprop-2-enoate;polane
CID 173074189
hydroxylamine;methyl 2-methylprop-2-enoate
CID 174509239
azane;ethane;bis(methyl 2-methylprop-2-enoate)
CID 173203662
deuterium monohydride;methyl 2-methylprop-2-enoate
CID 161063033
carbonodithioic S,S-acid;methyl 2-methylprop-2-enoate
CID 87195360
1,2-dimethoxyethane;methyl 2-methylprop-2-enoate
CID 175106203
acetic acid;acetylene;methyl 2-methylprop-2-enoate
CID 88821199
methyl 2-methylprop-2-enoate;tribromobismuthane
CID 88520030
methyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid;trihydrochloride
CID 172746567

Frequently Asked Questions

What is the IUPAC name of methyl 2-methylprop-2-enoate;propan-2-one?
The IUPAC name of methyl 2-methylprop-2-enoate;propan-2-one (CID 18939878) is methyl 2-methylprop-2-enoate;propan-2-one.
What is the SMILES notation for methyl 2-methylprop-2-enoate;propan-2-one?
The canonical SMILES for methyl 2-methylprop-2-enoate;propan-2-one is C=C(C)C(=O)OC.CC(C)=O.
What is the InChIKey of methyl 2-methylprop-2-enoate;propan-2-one?
The InChIKey is GVHMOGCGJLUOMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O2.C3H6O/c1-4(2)5(6)7-3;1-3(2)4/h1H2,2-3H3;1-2H3.
What are the key properties of methyl 2-methylprop-2-enoate;propan-2-one?
methyl 2-methylprop-2-enoate;propan-2-one has a molecular weight of 158.20 g/mol, XLogP of 1.33, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methylprop-2-enoate;propan-2-one is sourced from PubChem (CID 18939878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).