2-methylprop-2-enoic acid;propyl sulfite

C7H13O5S- — CID 174596264

IUPAC2-methylprop-2-enoic acid;propyl sulfite
SMILESC=C(C)C(=O)O.CCCOS(=O)[O-]
InChIInChI=1S/C4H6O2.C3H8O3S/c1-3(2)4(5)6;1-2-3-6-7(4)5/h1H2,2H3,(H,5,6);2-3H2,1H3,(H,4,5)/p-1
InChIKeySDZIMCASJGIUFT-UHFFFAOYSA-M
MW209.24 g/mol
LogP0.85
Rot. Bonds4

About 2-methylprop-2-enoic acid;propyl sulfite

2-methylprop-2-enoic acid;propyl sulfite (PubChem CID 174596264) has the molecular formula C7H13O5S- and a molecular weight of 209.24 g/mol. Its IUPAC name is 2-methylprop-2-enoic acid;propyl sulfite.

Molecular Properties

Compound Name2-methylprop-2-enoic acid;propyl sulfite
PubChem CID174596264
Molecular FormulaC7H13O5S-
Molecular Weight209.24 g/mol
Exact Mass209.05
IUPAC Name2-methylprop-2-enoic acid;propyl sulfite
SMILESC=C(C)C(=O)O.CCCOS(=O)[O-]
InChIInChI=1S/C4H6O2.C3H8O3S/c1-3(2)4(5)6;1-2-3-6-7(4)5/h1H2,2H3,(H,5,6);2-3H2,1H3,(H,4,5)/p-1
InChIKeySDZIMCASJGIUFT-UHFFFAOYSA-M
XLogP0.85
TPSA86.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethane;hydrogen sulfite;2-methylprop-2-enoic acid
CID 174520985
CID 173413432
CID 173413432
lithium;dodecyl sulfite;hydride
CID 174417370
dilithium;hydride;2-methylprop-2-enoic acid
CID 174560536
2-methylprop-2-enoic acid;octacosane
CID 158715869
2-methoxyethyl sulfite
CID 54514151
ethyl(dimethyl)stannane;2-methylprop-2-enoic acid
CID 174366795
2-(hydroxymethyl)-2-methylpropane-1,3-diol;bis(2-methylprop-2-enoic acid);1-propoxypropane
CID 173247855
butan-2-one;2-methylprop-2-enoic acid
CID 18674562
2-methylprop-2-enoic acid;pentan-2-one
CID 159816457
methanolate;bis(2-methylprop-2-enoic acid);titanium(2+)
CID 18781400
tris(2-methylprop-2-enoic acid);zirconium
CID 175448767

Frequently Asked Questions

What is the IUPAC name of 2-methylprop-2-enoic acid;propyl sulfite?
The IUPAC name of 2-methylprop-2-enoic acid;propyl sulfite (CID 174596264) is 2-methylprop-2-enoic acid;propyl sulfite.
What is the SMILES notation for 2-methylprop-2-enoic acid;propyl sulfite?
The canonical SMILES for 2-methylprop-2-enoic acid;propyl sulfite is C=C(C)C(=O)O.CCCOS(=O)[O-].
What is the InChIKey of 2-methylprop-2-enoic acid;propyl sulfite?
The InChIKey is SDZIMCASJGIUFT-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H6O2.C3H8O3S/c1-3(2)4(5)6;1-2-3-6-7(4)5/h1H2,2H3,(H,5,6);2-3H2,1H3,(H,4,5)/p-1.
What are the key properties of 2-methylprop-2-enoic acid;propyl sulfite?
2-methylprop-2-enoic acid;propyl sulfite has a molecular weight of 209.24 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-2-enoic acid;propyl sulfite is sourced from PubChem (CID 174596264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).