bis(ethane-1,2-diol);2-methylprop-2-enoic acid;prop-2-enoic acid

C11H22O8 — CID 173402530

IUPACbis(ethane-1,2-diol);2-methylprop-2-enoic acid;prop-2-enoic acid
SMILESC=C(C)C(=O)O.C=CC(=O)O.OCCO.OCCO
InChIInChI=1S/C4H6O2.C3H4O2.2C2H6O2/c1-3(2)4(5)6;1-2-3(4)5;2*3-1-2-4/h1H2,2H3,(H,5,6);2H,1H2,(H,4,5);2*3-4H,1-2H2
InChIKeyMIXRLHHDFLBRJI-UHFFFAOYSA-N
MW282.29 g/mol
LogP-1.15
Rot. Bonds4

About bis(ethane-1,2-diol);2-methylprop-2-enoic acid;prop-2-enoic acid

bis(ethane-1,2-diol);2-methylprop-2-enoic acid;prop-2-enoic acid (PubChem CID 173402530) has the molecular formula C11H22O8 and a molecular weight of 282.29 g/mol. Its IUPAC name is bis(ethane-1,2-diol);2-methylprop-2-enoic acid;prop-2-enoic acid.

Molecular Properties

Compound Namebis(ethane-1,2-diol);2-methylprop-2-enoic acid;prop-2-enoic acid
PubChem CID173402530
Molecular FormulaC11H22O8
Molecular Weight282.29 g/mol
Exact Mass282.13
IUPAC Namebis(ethane-1,2-diol);2-methylprop-2-enoic acid;prop-2-enoic acid
SMILESC=C(C)C(=O)O.C=CC(=O)O.OCCO.OCCO
InChIInChI=1S/C4H6O2.C3H4O2.2C2H6O2/c1-3(2)4(5)6;1-2-3(4)5;2*3-1-2-4/h1H2,2H3,(H,5,6);2H,1H2,(H,4,5);2*3-4H,1-2H2
InChIKeyMIXRLHHDFLBRJI-UHFFFAOYSA-N
XLogP-1.15
TPSA155.52 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.29
LogP ≤ 5-1.15
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-methylprop-2-enoic acid;propane-1,3-diol;bis(prop-2-enoic acid)
CID 162080940
dodecane-1,12-diol;2-methylprop-2-enoic acid;bis(prop-2-enoic acid)
CID 158703617
ethane-1,2-diol;bis(2-methylprop-2-enoic acid);tetrakis(prop-1-ene)
CID 174760131
ethane;2-methylprop-2-enoic acid;prop-2-enoic acid
CID 173217491
2-methylprop-2-enoic acid;propan-2-one;prop-2-enoic acid
CID 174363133
2-methylprop-2-enoic acid;prop-2-enoic acid;silylsilane
CID 173358641
2,2-bis(hydroxymethyl)propane-1,3-diol;2-methylprop-2-enoic acid;tris(prop-2-enoic acid)
CID 159680832
bis(ethane-1,2-diol);ethene;2-methylprop-2-enoic acid
CID 173395438
ethane-1,2-diol;tetrakis(prop-2-enoic acid)
CID 157215005
dodecakis(ethane-1,2-diol);tridecakis(prop-2-enoic acid)
CID 173073218
2-methylprop-1-ene;2-methylprop-2-enoic acid;prop-1-ene;prop-2-enoic acid
CID 162195098
ethane-1,2-diol;bis(2-methylprop-2-enoic acid);prop-2-enoic acid;styrene
CID 174785895

Frequently Asked Questions

What is the IUPAC name of bis(ethane-1,2-diol);2-methylprop-2-enoic acid;prop-2-enoic acid?
The IUPAC name of bis(ethane-1,2-diol);2-methylprop-2-enoic acid;prop-2-enoic acid (CID 173402530) is bis(ethane-1,2-diol);2-methylprop-2-enoic acid;prop-2-enoic acid.
What is the SMILES notation for bis(ethane-1,2-diol);2-methylprop-2-enoic acid;prop-2-enoic acid?
The canonical SMILES for bis(ethane-1,2-diol);2-methylprop-2-enoic acid;prop-2-enoic acid is C=C(C)C(=O)O.C=CC(=O)O.OCCO.OCCO.
What is the InChIKey of bis(ethane-1,2-diol);2-methylprop-2-enoic acid;prop-2-enoic acid?
The InChIKey is MIXRLHHDFLBRJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O2.C3H4O2.2C2H6O2/c1-3(2)4(5)6;1-2-3(4)5;2*3-1-2-4/h1H2,2H3,(H,5,6);2H,1H2,(H,4,5);2*3-4H,1-2H2.
What are the key properties of bis(ethane-1,2-diol);2-methylprop-2-enoic acid;prop-2-enoic acid?
bis(ethane-1,2-diol);2-methylprop-2-enoic acid;prop-2-enoic acid has a molecular weight of 282.29 g/mol, XLogP of -1.15, 4 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(ethane-1,2-diol);2-methylprop-2-enoic acid;prop-2-enoic acid is sourced from PubChem (CID 173402530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).