3-dimethylarsanyl-2-methylprop-2-enoic acid

C6H11AsO2 — CID 87783887

IUPAC3-dimethylarsanyl-2-methylprop-2-enoic acid
SMILESCC(=C[As](C)C)C(=O)O
InChIInChI=1S/C6H11AsO2/c1-5(6(8)9)4-7(2)3/h4H,1-3H3,(H,8,9)
InChIKeyVGDQBXVVAUSGPJ-UHFFFAOYSA-N
MW190.07 g/mol
LogP1.31
Rot. Bonds2

About 3-dimethylarsanyl-2-methylprop-2-enoic acid

3-dimethylarsanyl-2-methylprop-2-enoic acid (PubChem CID 87783887) has the molecular formula C6H11AsO2 and a molecular weight of 190.07 g/mol. Its IUPAC name is 3-dimethylarsanyl-2-methylprop-2-enoic acid.

Molecular Properties

Compound Name3-dimethylarsanyl-2-methylprop-2-enoic acid
PubChem CID87783887
Molecular FormulaC6H11AsO2
Molecular Weight190.07 g/mol
Exact Mass190.00
IUPAC Name3-dimethylarsanyl-2-methylprop-2-enoic acid
SMILESCC(=C[As](C)C)C(=O)O
InChIInChI=1S/C6H11AsO2/c1-5(6(8)9)4-7(2)3/h4H,1-3H3,(H,8,9)
InChIKeyVGDQBXVVAUSGPJ-UHFFFAOYSA-N
XLogP1.31
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.07
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2E)-2,5-dimethylhexa-2,4-dienoic acid
CID 18632121
bis((E)-2-methylbut-2-enedioic acid);zirconium
CID 146019810
2-methylbut-2-enoic acid;yttrium
CID 76824008
(E)-2-methylbut-2-enoic acid;hydrochloride
CID 87583281
acetic acid;(E)-2-methylbut-2-enoic acid
CID 88739712
2-methylbut-2-enoic acid;silane
CID 173038853
4-chloro-2-methyl-4-oxobut-2-enoic acid
CID 91524187
strontium;hydride;(E)-2-methylbut-2-enedioic acid
CID 173151439
but-2-enedioic acid;2-methylbut-2-enedioic acid
CID 173069076
4-fluoro-2,5-dimethylhexa-2,4-dienoic acid
CID 123990664
4-(hydroxyamino)-2-methyl-4-oxobut-2-enoic acid
CID 91349271
methane;2-methyl-3-silylprop-2-enoic acid
CID 173490193

Frequently Asked Questions

What is the IUPAC name of 3-dimethylarsanyl-2-methylprop-2-enoic acid?
The IUPAC name of 3-dimethylarsanyl-2-methylprop-2-enoic acid (CID 87783887) is 3-dimethylarsanyl-2-methylprop-2-enoic acid.
What is the SMILES notation for 3-dimethylarsanyl-2-methylprop-2-enoic acid?
The canonical SMILES for 3-dimethylarsanyl-2-methylprop-2-enoic acid is CC(=C[As](C)C)C(=O)O.
What is the InChIKey of 3-dimethylarsanyl-2-methylprop-2-enoic acid?
The InChIKey is VGDQBXVVAUSGPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11AsO2/c1-5(6(8)9)4-7(2)3/h4H,1-3H3,(H,8,9).
What are the key properties of 3-dimethylarsanyl-2-methylprop-2-enoic acid?
3-dimethylarsanyl-2-methylprop-2-enoic acid has a molecular weight of 190.07 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dimethylarsanyl-2-methylprop-2-enoic acid is sourced from PubChem (CID 87783887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).