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

C28H58O6 — CID 173395438

IUPACbis(ethane-1,2-diol);ethene;2-methylprop-2-enoic acid
SMILESC=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C(C)C(=O)O.OCCO.OCCO
InChIInChI=1S/C4H6O2.2C2H6O2.10C2H4/c1-3(2)4(5)6;2*3-1-2-4;10*1-2/h1H2,2H3,(H,5,6);2*3-4H,1-2H2;10*1-2H2
InChIKeyKHOVCFNDLDBJPJ-UHFFFAOYSA-N
MW490.77 g/mol
LogP6.61
Rot. Bonds3

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

bis(ethane-1,2-diol);ethene;2-methylprop-2-enoic acid (PubChem CID 173395438) has the molecular formula C28H58O6 and a molecular weight of 490.77 g/mol. Its IUPAC name is bis(ethane-1,2-diol);ethene;2-methylprop-2-enoic acid.

Molecular Properties

Compound Namebis(ethane-1,2-diol);ethene;2-methylprop-2-enoic acid
PubChem CID173395438
Molecular FormulaC28H58O6
Molecular Weight490.77 g/mol
Exact Mass490.42
IUPAC Namebis(ethane-1,2-diol);ethene;2-methylprop-2-enoic acid
SMILESC=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C(C)C(=O)O.OCCO.OCCO
InChIInChI=1S/C4H6O2.2C2H6O2.10C2H4/c1-3(2)4(5)6;2*3-1-2-4;10*1-2/h1H2,2H3,(H,5,6);2*3-4H,1-2H2;10*1-2H2
InChIKeyKHOVCFNDLDBJPJ-UHFFFAOYSA-N
XLogP6.61
TPSA118.22 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.77
LogP ≤ 56.61
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethylpropane;ethane-1,2-diol;bis(2-methylprop-2-enoic acid)
CID 174523782
ethene;bis(2-methylprop-2-enoic acid)
CID 158500428
ethane-1,2-diol;bis(2-methylprop-2-enoic acid);tetrakis(prop-1-ene)
CID 174760131
bis(ethane-1,2-diol);2-methylprop-2-enoic acid;prop-2-enoic acid
CID 173402530
bis(2-methylprop-2-enoic acid);octane-1,8-diol
CID 87149429
2-bromoethanol;2-methylprop-2-enoic acid
CID 163915230
ethane-1,2-diol;bis(2-methylprop-2-enoic acid);octadecane
CID 173068798
ethane-1,2-diol;tetrakis(2-methylprop-2-enoic acid);propane-1,2-diol
CID 173026059
aminomethanol;2-methylprop-2-enoic acid
CID 122684678
acetic acid;2-methylprop-2-enoic acid
CID 21426946
ethane;bis(2-methylprop-2-enoic acid)
CID 87619293
tris(2-methylprop-2-enoic acid);yttrium
CID 121233543

Frequently Asked Questions

What is the IUPAC name of bis(ethane-1,2-diol);ethene;2-methylprop-2-enoic acid?
The IUPAC name of bis(ethane-1,2-diol);ethene;2-methylprop-2-enoic acid (CID 173395438) is bis(ethane-1,2-diol);ethene;2-methylprop-2-enoic acid.
What is the SMILES notation for bis(ethane-1,2-diol);ethene;2-methylprop-2-enoic acid?
The canonical SMILES for bis(ethane-1,2-diol);ethene;2-methylprop-2-enoic acid is C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C(C)C(=O)O.OCCO.OCCO.
What is the InChIKey of bis(ethane-1,2-diol);ethene;2-methylprop-2-enoic acid?
The InChIKey is KHOVCFNDLDBJPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O2.2C2H6O2.10C2H4/c1-3(2)4(5)6;2*3-1-2-4;10*1-2/h1H2,2H3,(H,5,6);2*3-4H,1-2H2;10*1-2H2.
What are the key properties of bis(ethane-1,2-diol);ethene;2-methylprop-2-enoic acid?
bis(ethane-1,2-diol);ethene;2-methylprop-2-enoic acid has a molecular weight of 490.77 g/mol, XLogP of 6.61, 3 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(ethane-1,2-diol);ethene;2-methylprop-2-enoic acid is sourced from PubChem (CID 173395438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).