ethyl 2-methylprop-2-enoate;phthalic acid

C14H16O6 — CID 66831473

IUPACethyl 2-methylprop-2-enoate;phthalic acid
SMILESC=C(C)C(=O)OCC.O=C(O)c1ccccc1C(=O)O
InChIInChI=1S/C8H6O4.C6H10O2/c9-7(10)5-3-1-2-4-6(5)8(11)12;1-4-8-6(7)5(2)3/h1-4H,(H,9,10)(H,11,12);2,4H2,1,3H3
InChIKeyLUIDITKYBJCCHH-UHFFFAOYSA-N
MW280.28 g/mol
LogP2.21
Rot. Bonds4

About ethyl 2-methylprop-2-enoate;phthalic acid

ethyl 2-methylprop-2-enoate;phthalic acid (PubChem CID 66831473) has the molecular formula C14H16O6 and a molecular weight of 280.28 g/mol. Its IUPAC name is ethyl 2-methylprop-2-enoate;phthalic acid.

Molecular Properties

Compound Nameethyl 2-methylprop-2-enoate;phthalic acid
PubChem CID66831473
Molecular FormulaC14H16O6
Molecular Weight280.28 g/mol
Exact Mass280.09
IUPAC Nameethyl 2-methylprop-2-enoate;phthalic acid
SMILESC=C(C)C(=O)OCC.O=C(O)c1ccccc1C(=O)O
InChIInChI=1S/C8H6O4.C6H10O2/c9-7(10)5-3-1-2-4-6(5)8(11)12;1-4-8-6(7)5(2)3/h1-4H,(H,9,10)(H,11,12);2,4H2,1,3H3
InChIKeyLUIDITKYBJCCHH-UHFFFAOYSA-N
XLogP2.21
TPSA100.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethoxybenzene;ethyl 2-methylprop-2-enoate
CID 175299667
chlorobenzene;ethyl 2-methylprop-2-enoate;hydrate
CID 158184145
anthracene;ethyl 2-methylprop-2-enoate
CID 126715245
ethyl 2-methylprop-2-enoate
CID 130475774
ethene;2-ethoxycarbonylbenzoic acid
CID 159652266
bis(2-methylprop-2-enamide);phthalic acid
CID 161166045
sodium ethyl 2-methylprop-2-enoate
CID 23346885
ethane;bis(ethyl 2-methylprop-2-enoate)
CID 146295289
ethyl 2-methylprop-2-enoate;phosphane
CID 159151613
ethyl 2-methylprop-2-enoate;methane
CID 159235789
N,N-dimethyl-1-phenylmethanamine;ethyl 2-methylprop-2-enoate;hydrochloride
CID 173067916
diethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium;2-[2-(2-methylprop-2-enoyloxy)ethoxycarbonyl]benzoic acid
CID 159230948

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methylprop-2-enoate;phthalic acid?
The IUPAC name of ethyl 2-methylprop-2-enoate;phthalic acid (CID 66831473) is ethyl 2-methylprop-2-enoate;phthalic acid.
What is the SMILES notation for ethyl 2-methylprop-2-enoate;phthalic acid?
The canonical SMILES for ethyl 2-methylprop-2-enoate;phthalic acid is C=C(C)C(=O)OCC.O=C(O)c1ccccc1C(=O)O.
What is the InChIKey of ethyl 2-methylprop-2-enoate;phthalic acid?
The InChIKey is LUIDITKYBJCCHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6O4.C6H10O2/c9-7(10)5-3-1-2-4-6(5)8(11)12;1-4-8-6(7)5(2)3/h1-4H,(H,9,10)(H,11,12);2,4H2,1,3H3.
What are the key properties of ethyl 2-methylprop-2-enoate;phthalic acid?
ethyl 2-methylprop-2-enoate;phthalic acid has a molecular weight of 280.28 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methylprop-2-enoate;phthalic acid is sourced from PubChem (CID 66831473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).