2-methylprop-2-enoic acid;[(E)-2-phenylethenyl] 2-methylprop-2-enoate

C16H18O4 — CID 138598568

IUPAC2-methylprop-2-enoic acid;[(E)-2-phenylethenyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)O.C=C(C)C(=O)O/C=C/c1ccccc1
InChIInChI=1S/C12H12O2.C4H6O2/c1-10(2)12(13)14-9-8-11-6-4-3-5-7-11;1-3(2)4(5)6/h3-9H,1H2,2H3;1H2,2H3,(H,5,6)/b9-8+;
InChIKeyAUJOWHZBIKNBOX-HRNDJLQDSA-N
MW274.32 g/mol
LogP3.42
Rot. Bonds4

About 2-methylprop-2-enoic acid;[(E)-2-phenylethenyl] 2-methylprop-2-enoate

2-methylprop-2-enoic acid;[(E)-2-phenylethenyl] 2-methylprop-2-enoate (PubChem CID 138598568) has the molecular formula C16H18O4 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-methylprop-2-enoic acid;[(E)-2-phenylethenyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-methylprop-2-enoic acid;[(E)-2-phenylethenyl] 2-methylprop-2-enoate
PubChem CID138598568
Molecular FormulaC16H18O4
Molecular Weight274.32 g/mol
Exact Mass274.12
IUPAC Name2-methylprop-2-enoic acid;[(E)-2-phenylethenyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)O.C=C(C)C(=O)O/C=C/c1ccccc1
InChIInChI=1S/C12H12O2.C4H6O2/c1-10(2)12(13)14-9-8-11-6-4-3-5-7-11;1-3(2)4(5)6/h3-9H,1H2,2H3;1H2,2H3,(H,5,6)/b9-8+;
InChIKeyAUJOWHZBIKNBOX-HRNDJLQDSA-N
XLogP3.42
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

hexane-1,1-diol;[(E)-2-phenylethenyl] 2-methylprop-2-enoate
CID 22743729
2-phenylethenyl 3-amino-2-methylbut-2-enoate
CID 175322238
2-methylprop-2-enoic acid;3-phenylprop-2-enyl 2-methylprop-2-enoate
CID 137350549
2-methylprop-2-enoic acid;3-phenylprop-2-enoic acid
CID 157125853
2-phenylethenyl 2-oxobutanoate
CID 68843055
2-O-amino 1-O-(2-phenylethenyl) oxalate
CID 174927397
buta-1,3-dienylbenzene;2-methylprop-2-enoic acid
CID 160671566
[4-(2-phenylethenyl)phenyl] 2-methylprop-2-enoate
CID 54432121
2-phenylethenyl prop-2-enoate;silyloxysilane
CID 173165185
[3-(2-methylprop-2-enoyloxy)-5-[(E)-2-phenylethenyl]phenyl] 2-methylprop-2-enoate
CID 155004792
methyl 2-methylidene-4-phenylbut-3-enoate;methyl 2-methylprop-2-enoate
CID 87484967
ethane;2-methylprop-2-enoic acid;styrene
CID 174478215

Frequently Asked Questions

What is the IUPAC name of 2-methylprop-2-enoic acid;[(E)-2-phenylethenyl] 2-methylprop-2-enoate?
The IUPAC name of 2-methylprop-2-enoic acid;[(E)-2-phenylethenyl] 2-methylprop-2-enoate (CID 138598568) is 2-methylprop-2-enoic acid;[(E)-2-phenylethenyl] 2-methylprop-2-enoate.
What is the SMILES notation for 2-methylprop-2-enoic acid;[(E)-2-phenylethenyl] 2-methylprop-2-enoate?
The canonical SMILES for 2-methylprop-2-enoic acid;[(E)-2-phenylethenyl] 2-methylprop-2-enoate is C=C(C)C(=O)O.C=C(C)C(=O)O/C=C/c1ccccc1.
What is the InChIKey of 2-methylprop-2-enoic acid;[(E)-2-phenylethenyl] 2-methylprop-2-enoate?
The InChIKey is AUJOWHZBIKNBOX-HRNDJLQDSA-N. The full InChI is InChI=1S/C12H12O2.C4H6O2/c1-10(2)12(13)14-9-8-11-6-4-3-5-7-11;1-3(2)4(5)6/h3-9H,1H2,2H3;1H2,2H3,(H,5,6)/b9-8+;.
What are the key properties of 2-methylprop-2-enoic acid;[(E)-2-phenylethenyl] 2-methylprop-2-enoate?
2-methylprop-2-enoic acid;[(E)-2-phenylethenyl] 2-methylprop-2-enoate has a molecular weight of 274.32 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-2-enoic acid;[(E)-2-phenylethenyl] 2-methylprop-2-enoate is sourced from PubChem (CID 138598568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).