acetic acid;2-methylprop-2-enoic acid

C6H10O4 — CID 21426946

IUPACacetic acid;2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)O.CC(=O)O
InChIInChI=1S/C4H6O2.C2H4O2/c1-3(2)4(5)6;1-2(3)4/h1H2,2H3,(H,5,6);1H3,(H,3,4)
InChIKeyCDMXXXZRZWQJQE-UHFFFAOYSA-N
MW146.14 g/mol
LogP0.74
Rot. Bonds1

About acetic acid;2-methylprop-2-enoic acid

acetic acid;2-methylprop-2-enoic acid (PubChem CID 21426946) has the molecular formula C6H10O4 and a molecular weight of 146.14 g/mol. Its IUPAC name is acetic acid;2-methylprop-2-enoic acid.

Molecular Properties

Compound Nameacetic acid;2-methylprop-2-enoic acid
PubChem CID21426946
Molecular FormulaC6H10O4
Molecular Weight146.14 g/mol
Exact Mass146.06
IUPAC Nameacetic acid;2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)O.CC(=O)O
InChIInChI=1S/C4H6O2.C2H4O2/c1-3(2)4(5)6;1-2(3)4/h1H2,2H3,(H,5,6);1H3,(H,3,4)
InChIKeyCDMXXXZRZWQJQE-UHFFFAOYSA-N
XLogP0.74
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.14
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

acetic acid;cadmium;2-methylprop-2-enoic acid
CID 88716408
2-Propenoic acid,2-methyl-, aluminum salt (3:1)
CID 87069865
CID 131883821
CID 131883821
tris(2-methylprop-2-enoic acid);yttrium
CID 121233543
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
chromium;bis(2-methylprop-2-enoic acid);hydrate
CID 165107719
methanol;2-methylprop-2-enoic acid;propan-2-one
CID 174711674

Frequently Asked Questions

What is the IUPAC name of acetic acid;2-methylprop-2-enoic acid?
The IUPAC name of acetic acid;2-methylprop-2-enoic acid (CID 21426946) is acetic acid;2-methylprop-2-enoic acid.
What is the SMILES notation for acetic acid;2-methylprop-2-enoic acid?
The canonical SMILES for acetic acid;2-methylprop-2-enoic acid is C=C(C)C(=O)O.CC(=O)O.
What is the InChIKey of acetic acid;2-methylprop-2-enoic acid?
The InChIKey is CDMXXXZRZWQJQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O2.C2H4O2/c1-3(2)4(5)6;1-2(3)4/h1H2,2H3,(H,5,6);1H3,(H,3,4).
What are the key properties of acetic acid;2-methylprop-2-enoic acid?
acetic acid;2-methylprop-2-enoic acid has a molecular weight of 146.14 g/mol, XLogP of 0.74, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2-methylprop-2-enoic acid is sourced from PubChem (CID 21426946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).