2,2-dihydroxypropanoyl 2-methylprop-2-enoate;bis(2-methylprop-2-enoic acid)

C15H22O9 — CID 161234061

IUPAC2,2-dihydroxypropanoyl 2-methylprop-2-enoate;bis(2-methylprop-2-enoic acid)
SMILESC=C(C)C(=O)O.C=C(C)C(=O)O.C=C(C)C(=O)OC(=O)C(C)(O)O
InChIInChI=1S/C7H10O5.2C4H6O2/c1-4(2)5(8)12-6(9)7(3,10)11;2*1-3(2)4(5)6/h10-11H,1H2,2-3H3;2*1H2,2H3,(H,5,6)
InChIKeyUZDDCCSESGZNBB-UHFFFAOYSA-N
MW346.33 g/mol
LogP0.63
Rot. Bonds4

About 2,2-dihydroxypropanoyl 2-methylprop-2-enoate;bis(2-methylprop-2-enoic acid)

2,2-dihydroxypropanoyl 2-methylprop-2-enoate;bis(2-methylprop-2-enoic acid) (PubChem CID 161234061) has the molecular formula C15H22O9 and a molecular weight of 346.33 g/mol. Its IUPAC name is 2,2-dihydroxypropanoyl 2-methylprop-2-enoate;bis(2-methylprop-2-enoic acid).

Molecular Properties

Compound Name2,2-dihydroxypropanoyl 2-methylprop-2-enoate;bis(2-methylprop-2-enoic acid)
PubChem CID161234061
Molecular FormulaC15H22O9
Molecular Weight346.33 g/mol
Exact Mass346.13
IUPAC Name2,2-dihydroxypropanoyl 2-methylprop-2-enoate;bis(2-methylprop-2-enoic acid)
SMILESC=C(C)C(=O)O.C=C(C)C(=O)O.C=C(C)C(=O)OC(=O)C(C)(O)O
InChIInChI=1S/C7H10O5.2C4H6O2/c1-4(2)5(8)12-6(9)7(3,10)11;2*1-3(2)4(5)6/h10-11H,1H2,2-3H3;2*1H2,2H3,(H,5,6)
InChIKeyUZDDCCSESGZNBB-UHFFFAOYSA-N
XLogP0.63
TPSA158.43 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.33
LogP ≤ 50.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-methylprop-1-ene;2-methylprop-2-enoyl 2-methylprop-2-enoate
CID 170331800
2-methylprop-2-enoyl 2,2,3-trimethylbutanoate
CID 101145918
bis(2-methylprop-2-enoic acid);2-methylprop-2-enoylperoxycarbonyl 2-methylprop-2-enoate
CID 87087130
1,1-dihydroxyethyl 2-methylprop-2-enoate
CID 54314895
2-methylprop-2-enoic acid;2-prop-1-en-2-yloxyprop-1-ene
CID 87378028
methyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid;trihydrochloride
CID 172746567
2,2-dimethylbutane;methyl 2-methylprop-2-enoate;bis(2-methylprop-2-enoic acid)
CID 175215744
CID 131883821
CID 131883821
2-Propenoic acid,2-methyl-, aluminum salt (3:1)
CID 87069865
tris(2-methylprop-2-enoic acid);zirconium
CID 175448767
acetic acid;2-methylprop-2-enoic acid
CID 21426946
ethane;bis(2-methylprop-2-enoic acid)
CID 87619293

Frequently Asked Questions

What is the IUPAC name of 2,2-dihydroxypropanoyl 2-methylprop-2-enoate;bis(2-methylprop-2-enoic acid)?
The IUPAC name of 2,2-dihydroxypropanoyl 2-methylprop-2-enoate;bis(2-methylprop-2-enoic acid) (CID 161234061) is 2,2-dihydroxypropanoyl 2-methylprop-2-enoate;bis(2-methylprop-2-enoic acid).
What is the SMILES notation for 2,2-dihydroxypropanoyl 2-methylprop-2-enoate;bis(2-methylprop-2-enoic acid)?
The canonical SMILES for 2,2-dihydroxypropanoyl 2-methylprop-2-enoate;bis(2-methylprop-2-enoic acid) is C=C(C)C(=O)O.C=C(C)C(=O)O.C=C(C)C(=O)OC(=O)C(C)(O)O.
What is the InChIKey of 2,2-dihydroxypropanoyl 2-methylprop-2-enoate;bis(2-methylprop-2-enoic acid)?
The InChIKey is UZDDCCSESGZNBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O5.2C4H6O2/c1-4(2)5(8)12-6(9)7(3,10)11;2*1-3(2)4(5)6/h10-11H,1H2,2-3H3;2*1H2,2H3,(H,5,6).
What are the key properties of 2,2-dihydroxypropanoyl 2-methylprop-2-enoate;bis(2-methylprop-2-enoic acid)?
2,2-dihydroxypropanoyl 2-methylprop-2-enoate;bis(2-methylprop-2-enoic acid) has a molecular weight of 346.33 g/mol, XLogP of 0.63, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dihydroxypropanoyl 2-methylprop-2-enoate;bis(2-methylprop-2-enoic acid) is sourced from PubChem (CID 161234061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).