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

C15H30O6 — CID 174523782

IUPAC2,2-dimethylpropane;ethane-1,2-diol;bis(2-methylprop-2-enoic acid)
SMILESC=C(C)C(=O)O.C=C(C)C(=O)O.CC(C)(C)C.OCCO
InChIInChI=1S/C5H12.2C4H6O2.C2H6O2/c1-5(2,3)4;2*1-3(2)4(5)6;3-1-2-4/h1-4H3;2*1H2,2H3,(H,5,6);3-4H,1-2H2
InChIKeyOWMOEKRHEPLNJR-UHFFFAOYSA-N
MW306.40 g/mol
LogP2.32
Rot. Bonds3

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

2,2-dimethylpropane;ethane-1,2-diol;bis(2-methylprop-2-enoic acid) (PubChem CID 174523782) has the molecular formula C15H30O6 and a molecular weight of 306.40 g/mol. Its IUPAC name is 2,2-dimethylpropane;ethane-1,2-diol;bis(2-methylprop-2-enoic acid).

Molecular Properties

Compound Name2,2-dimethylpropane;ethane-1,2-diol;bis(2-methylprop-2-enoic acid)
PubChem CID174523782
Molecular FormulaC15H30O6
Molecular Weight306.40 g/mol
Exact Mass306.20
IUPAC Name2,2-dimethylpropane;ethane-1,2-diol;bis(2-methylprop-2-enoic acid)
SMILESC=C(C)C(=O)O.C=C(C)C(=O)O.CC(C)(C)C.OCCO
InChIInChI=1S/C5H12.2C4H6O2.C2H6O2/c1-5(2,3)4;2*1-3(2)4(5)6;3-1-2-4/h1-4H3;2*1H2,2H3,(H,5,6);3-4H,1-2H2
InChIKeyOWMOEKRHEPLNJR-UHFFFAOYSA-N
XLogP2.32
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.40
LogP ≤ 52.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

bis(ethane-1,2-diol);ethene;2-methylprop-2-enoic acid
CID 173395438
ethane-1,2-diol;bis(2-methylprop-2-enoic acid);tetrakis(prop-1-ene)
CID 174760131
2-(hydroxymethyl)-2-methylpropane-1,3-diol;tetrakis(2-methylprop-2-enoic acid)
CID 158865662
bis(ethane-1,2-diol);2-methylprop-2-enoic acid;prop-2-enoic acid
CID 173402530
ethane-1,2-diol;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;tris(2-methylprop-2-enoic acid)
CID 158139440
2-bromoethanol;2-methylprop-2-enoic acid
CID 163915230
bis(2-methylprop-2-enoic acid);octane-1,8-diol
CID 87149429
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
λ2-plumbane;2-methylprop-2-enoic acid
CID 173012443
tris(2-methylprop-2-enoic acid);yttrium
CID 121233543

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropane;ethane-1,2-diol;bis(2-methylprop-2-enoic acid)?
The IUPAC name of 2,2-dimethylpropane;ethane-1,2-diol;bis(2-methylprop-2-enoic acid) (CID 174523782) is 2,2-dimethylpropane;ethane-1,2-diol;bis(2-methylprop-2-enoic acid).
What is the SMILES notation for 2,2-dimethylpropane;ethane-1,2-diol;bis(2-methylprop-2-enoic acid)?
The canonical SMILES for 2,2-dimethylpropane;ethane-1,2-diol;bis(2-methylprop-2-enoic acid) is C=C(C)C(=O)O.C=C(C)C(=O)O.CC(C)(C)C.OCCO.
What is the InChIKey of 2,2-dimethylpropane;ethane-1,2-diol;bis(2-methylprop-2-enoic acid)?
The InChIKey is OWMOEKRHEPLNJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12.2C4H6O2.C2H6O2/c1-5(2,3)4;2*1-3(2)4(5)6;3-1-2-4/h1-4H3;2*1H2,2H3,(H,5,6);3-4H,1-2H2.
What are the key properties of 2,2-dimethylpropane;ethane-1,2-diol;bis(2-methylprop-2-enoic acid)?
2,2-dimethylpropane;ethane-1,2-diol;bis(2-methylprop-2-enoic acid) has a molecular weight of 306.40 g/mol, XLogP of 2.32, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropane;ethane-1,2-diol;bis(2-methylprop-2-enoic acid) is sourced from PubChem (CID 174523782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).