2,3-dihydroxypropanoyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate

C12H18O7 — CID 18615279

IUPAC2,3-dihydroxypropanoyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC.C=C(C)C(=O)OC(=O)C(O)CO
InChIInChI=1S/C7H10O5.C5H8O2/c1-4(2)6(10)12-7(11)5(9)3-8;1-4(2)5(6)7-3/h5,8-9H,1,3H2,2H3;1H2,2-3H3
InChIKeyAWTSOWAVRBZADF-UHFFFAOYSA-N
MW274.27 g/mol
LogP-0.28
Rot. Bonds4

About 2,3-dihydroxypropanoyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate

2,3-dihydroxypropanoyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate (PubChem CID 18615279) has the molecular formula C12H18O7 and a molecular weight of 274.27 g/mol. Its IUPAC name is 2,3-dihydroxypropanoyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2,3-dihydroxypropanoyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate
PubChem CID18615279
Molecular FormulaC12H18O7
Molecular Weight274.27 g/mol
Exact Mass274.11
IUPAC Name2,3-dihydroxypropanoyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC.C=C(C)C(=O)OC(=O)C(O)CO
InChIInChI=1S/C7H10O5.C5H8O2/c1-4(2)6(10)12-7(11)5(9)3-8;1-4(2)5(6)7-3/h5,8-9H,1,3H2,2H3;1H2,2-3H3
InChIKeyAWTSOWAVRBZADF-UHFFFAOYSA-N
XLogP-0.28
TPSA110.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxypropanoyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate?
The IUPAC name of 2,3-dihydroxypropanoyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate (CID 18615279) is 2,3-dihydroxypropanoyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate.
What is the SMILES notation for 2,3-dihydroxypropanoyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate?
The canonical SMILES for 2,3-dihydroxypropanoyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate is C=C(C)C(=O)OC.C=C(C)C(=O)OC(=O)C(O)CO.
What is the InChIKey of 2,3-dihydroxypropanoyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate?
The InChIKey is AWTSOWAVRBZADF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O5.C5H8O2/c1-4(2)6(10)12-7(11)5(9)3-8;1-4(2)5(6)7-3/h5,8-9H,1,3H2,2H3;1H2,2-3H3.
What are the key properties of 2,3-dihydroxypropanoyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate?
2,3-dihydroxypropanoyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate has a molecular weight of 274.27 g/mol, XLogP of -0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxypropanoyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate is sourced from PubChem (CID 18615279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).