methyl (E)-2-methyl-3-(2-methylprop-2-enoyloxy)prop-2-enoate

C9H12O4 — CID 137408561

IUPACmethyl (E)-2-methyl-3-(2-methylprop-2-enoyloxy)prop-2-enoate
SMILESC=C(C)C(=O)O/C=C(\C)C(=O)OC
InChIInChI=1S/C9H12O4/c1-6(2)8(10)13-5-7(3)9(11)12-4/h5H,1H2,2-4H3/b7-5+
InChIKeyLXKWYMZAMXUWBM-FNORWQNLSA-N
MW184.19 g/mol
LogP1.18
Rot. Bonds3

About methyl (E)-2-methyl-3-(2-methylprop-2-enoyloxy)prop-2-enoate

methyl (E)-2-methyl-3-(2-methylprop-2-enoyloxy)prop-2-enoate (PubChem CID 137408561) has the molecular formula C9H12O4 and a molecular weight of 184.19 g/mol. Its IUPAC name is methyl (E)-2-methyl-3-(2-methylprop-2-enoyloxy)prop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-2-methyl-3-(2-methylprop-2-enoyloxy)prop-2-enoate
PubChem CID137408561
Molecular FormulaC9H12O4
Molecular Weight184.19 g/mol
Exact Mass184.07
IUPAC Namemethyl (E)-2-methyl-3-(2-methylprop-2-enoyloxy)prop-2-enoate
SMILESC=C(C)C(=O)O/C=C(\C)C(=O)OC
InChIInChI=1S/C9H12O4/c1-6(2)8(10)13-5-7(3)9(11)12-4/h5H,1H2,2-4H3/b7-5+
InChIKeyLXKWYMZAMXUWBM-FNORWQNLSA-N
XLogP1.18
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 51.18
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
Methyl Methacrylate
CID 6658
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
n-Propyl methacrylate
CID 16638
2-Ethoxyethyl methacrylate
CID 71404
2-(Methoxyethoxy)ethyl methacrylate
CID 170752
sec-Butyl methacrylate
CID 97732

Frequently Asked Questions

What is the IUPAC name of methyl (E)-2-methyl-3-(2-methylprop-2-enoyloxy)prop-2-enoate?
The IUPAC name of methyl (E)-2-methyl-3-(2-methylprop-2-enoyloxy)prop-2-enoate (CID 137408561) is methyl (E)-2-methyl-3-(2-methylprop-2-enoyloxy)prop-2-enoate.
What is the SMILES notation for methyl (E)-2-methyl-3-(2-methylprop-2-enoyloxy)prop-2-enoate?
The canonical SMILES for methyl (E)-2-methyl-3-(2-methylprop-2-enoyloxy)prop-2-enoate is C=C(C)C(=O)O/C=C(\C)C(=O)OC.
What is the InChIKey of methyl (E)-2-methyl-3-(2-methylprop-2-enoyloxy)prop-2-enoate?
The InChIKey is LXKWYMZAMXUWBM-FNORWQNLSA-N. The full InChI is InChI=1S/C9H12O4/c1-6(2)8(10)13-5-7(3)9(11)12-4/h5H,1H2,2-4H3/b7-5+.
What are the key properties of methyl (E)-2-methyl-3-(2-methylprop-2-enoyloxy)prop-2-enoate?
methyl (E)-2-methyl-3-(2-methylprop-2-enoyloxy)prop-2-enoate has a molecular weight of 184.19 g/mol, XLogP of 1.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-2-methyl-3-(2-methylprop-2-enoyloxy)prop-2-enoate is sourced from PubChem (CID 137408561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).