2-methylprop-2-enoic acid;tris(prop-1-ene)

C13H24O2 — CID 160578185

IUPAC2-methylprop-2-enoic acid;tris(prop-1-ene)
SMILESC=C(C)C(=O)O.C=CC.C=CC.C=CC
InChIInChI=1S/C4H6O2.3C3H6/c1-3(2)4(5)6;3*1-3-2/h1H2,2H3,(H,5,6);3*3H,1H2,2H3
InChIKeyRBKRWUIDVQPYFW-UHFFFAOYSA-N
MW212.33 g/mol
LogP4.22
Rot. Bonds1

About 2-methylprop-2-enoic acid;tris(prop-1-ene)

2-methylprop-2-enoic acid;tris(prop-1-ene) (PubChem CID 160578185) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 2-methylprop-2-enoic acid;tris(prop-1-ene).

Molecular Properties

Compound Name2-methylprop-2-enoic acid;tris(prop-1-ene)
PubChem CID160578185
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name2-methylprop-2-enoic acid;tris(prop-1-ene)
SMILESC=C(C)C(=O)O.C=CC.C=CC.C=CC
InChIInChI=1S/C4H6O2.3C3H6/c1-3(2)4(5)6;3*1-3-2/h1H2,2H3,(H,5,6);3*3H,1H2,2H3
InChIKeyRBKRWUIDVQPYFW-UHFFFAOYSA-N
XLogP4.22
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-methylprop-1-ene;2-methylprop-2-enoic acid;prop-1-ene;prop-2-enoic acid
CID 162195098
ethane-1,2-diol;bis(2-methylprop-2-enoic acid);tetrakis(prop-1-ene)
CID 174760131
ethenamine;2-methylprop-2-enoic acid
CID 18702482
2-Propenoic acid,2-methyl-, aluminum salt (3:1)
CID 87069865
tris(2-methylprop-2-enoic acid);yttrium
CID 121233543
CID 131883821
CID 131883821
ethane;bis(2-methylprop-2-enoic acid)
CID 87619293
acetic acid;2-methylprop-2-enoic acid
CID 21426946
tris(2-methylprop-2-enoic acid);zirconium
CID 175448767
ethene;bis(2-methylprop-2-enoic acid)
CID 158500428
λ2-plumbane;2-methylprop-2-enoic acid
CID 173012443
ethane;2-methylprop-2-enoic acid;prop-2-enoic acid
CID 173217491

Frequently Asked Questions

What is the IUPAC name of 2-methylprop-2-enoic acid;tris(prop-1-ene)?
The IUPAC name of 2-methylprop-2-enoic acid;tris(prop-1-ene) (CID 160578185) is 2-methylprop-2-enoic acid;tris(prop-1-ene).
What is the SMILES notation for 2-methylprop-2-enoic acid;tris(prop-1-ene)?
The canonical SMILES for 2-methylprop-2-enoic acid;tris(prop-1-ene) is C=C(C)C(=O)O.C=CC.C=CC.C=CC.
What is the InChIKey of 2-methylprop-2-enoic acid;tris(prop-1-ene)?
The InChIKey is RBKRWUIDVQPYFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O2.3C3H6/c1-3(2)4(5)6;3*1-3-2/h1H2,2H3,(H,5,6);3*3H,1H2,2H3.
What are the key properties of 2-methylprop-2-enoic acid;tris(prop-1-ene)?
2-methylprop-2-enoic acid;tris(prop-1-ene) has a molecular weight of 212.33 g/mol, XLogP of 4.22, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-2-enoic acid;tris(prop-1-ene) is sourced from PubChem (CID 160578185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).