2-(trideuteriomethyl)prop-2-enoic acid

C4H6O2 — CID 59100582

IUPAC2-(trideuteriomethyl)prop-2-enoic acid
SMILES[2H]C([2H])([2H])C(=C)C(=O)O
InChIInChI=1S/C4H6O2/c1-3(2)4(5)6/h1H2,2H3,(H,5,6)/i2D3
InChIKeyCERQOIWHTDAKMF-BMSJAHLVSA-N
MW89.11 g/mol
LogP0.65
Rot. Bonds2

About 2-(trideuteriomethyl)prop-2-enoic acid

2-(trideuteriomethyl)prop-2-enoic acid (PubChem CID 59100582) has the molecular formula C4H6O2 and a molecular weight of 89.11 g/mol. Its IUPAC name is 2-(trideuteriomethyl)prop-2-enoic acid.

Molecular Properties

Compound Name2-(trideuteriomethyl)prop-2-enoic acid
PubChem CID59100582
Molecular FormulaC4H6O2
Molecular Weight89.11 g/mol
Exact Mass89.06
IUPAC Name2-(trideuteriomethyl)prop-2-enoic acid
SMILES[2H]C([2H])([2H])C(=C)C(=O)O
InChIInChI=1S/C4H6O2/c1-3(2)4(5)6/h1H2,2H3,(H,5,6)/i2D3
InChIKeyCERQOIWHTDAKMF-BMSJAHLVSA-N
XLogP0.65
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50089.11
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-Propenoic acid,2-methyl-, aluminum salt (3:1)
CID 87069865
CID 131883821
CID 131883821
tris(2-methylprop-2-enoic acid);yttrium
CID 121233543
acetic acid;2-methylprop-2-enoic acid
CID 21426946
ethane;bis(2-methylprop-2-enoic acid)
CID 87619293
ethene;bis(2-methylprop-2-enoic acid)
CID 158500428
tris(2-methylprop-2-enoic acid);zirconium
CID 175448767
λ2-plumbane;2-methylprop-2-enoic acid
CID 173012443
strontium;hydride;2-methylprop-2-enoic acid
CID 173027566
dilithium;hydride;2-methylprop-2-enoic acid
CID 174560536
acetic acid;cadmium;2-methylprop-2-enoic acid
CID 88716408
chromium;bis(2-methylprop-2-enoic acid);hydrate
CID 165107719

Frequently Asked Questions

What is the IUPAC name of 2-(trideuteriomethyl)prop-2-enoic acid?
The IUPAC name of 2-(trideuteriomethyl)prop-2-enoic acid (CID 59100582) is 2-(trideuteriomethyl)prop-2-enoic acid.
What is the SMILES notation for 2-(trideuteriomethyl)prop-2-enoic acid?
The canonical SMILES for 2-(trideuteriomethyl)prop-2-enoic acid is [2H]C([2H])([2H])C(=C)C(=O)O.
What is the InChIKey of 2-(trideuteriomethyl)prop-2-enoic acid?
The InChIKey is CERQOIWHTDAKMF-BMSJAHLVSA-N. The full InChI is InChI=1S/C4H6O2/c1-3(2)4(5)6/h1H2,2H3,(H,5,6)/i2D3.
What are the key properties of 2-(trideuteriomethyl)prop-2-enoic acid?
2-(trideuteriomethyl)prop-2-enoic acid has a molecular weight of 89.11 g/mol, XLogP of 0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trideuteriomethyl)prop-2-enoic acid is sourced from PubChem (CID 59100582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).