2-(hydroxymethyl)-2-methylpropane-1,3-diol;tetrakis(2-methylprop-2-enoic acid)

C21H36O11 — CID 158865662

IUPAC2-(hydroxymethyl)-2-methylpropane-1,3-diol;tetrakis(2-methylprop-2-enoic acid)
SMILESC=C(C)C(=O)O.C=C(C)C(=O)O.C=C(C)C(=O)O.C=C(C)C(=O)O.CC(CO)(CO)CO
InChIInChI=1S/C5H12O3.4C4H6O2/c1-5(2-6,3-7)4-8;4*1-3(2)4(5)6/h6-8H,2-4H2,1H3;4*1H2,2H3,(H,5,6)
InChIKeyJBEUGZMOTLBZNU-UHFFFAOYSA-N
MW464.51 g/mol
LogP1.56
Rot. Bonds7

About 2-(hydroxymethyl)-2-methylpropane-1,3-diol;tetrakis(2-methylprop-2-enoic acid)

2-(hydroxymethyl)-2-methylpropane-1,3-diol;tetrakis(2-methylprop-2-enoic acid) (PubChem CID 158865662) has the molecular formula C21H36O11 and a molecular weight of 464.51 g/mol. Its IUPAC name is 2-(hydroxymethyl)-2-methylpropane-1,3-diol;tetrakis(2-methylprop-2-enoic acid).

Molecular Properties

Compound Name2-(hydroxymethyl)-2-methylpropane-1,3-diol;tetrakis(2-methylprop-2-enoic acid)
PubChem CID158865662
Molecular FormulaC21H36O11
Molecular Weight464.51 g/mol
Exact Mass464.23
IUPAC Name2-(hydroxymethyl)-2-methylpropane-1,3-diol;tetrakis(2-methylprop-2-enoic acid)
SMILESC=C(C)C(=O)O.C=C(C)C(=O)O.C=C(C)C(=O)O.C=C(C)C(=O)O.CC(CO)(CO)CO
InChIInChI=1S/C5H12O3.4C4H6O2/c1-5(2-6,3-7)4-8;4*1-3(2)4(5)6/h6-8H,2-4H2,1H3;4*1H2,2H3,(H,5,6)
InChIKeyJBEUGZMOTLBZNU-UHFFFAOYSA-N
XLogP1.56
TPSA209.89 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.51
LogP ≤ 51.56
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-(Hydroxymethyl)-2-(((2-methyl-1-oxoallyl)oxy)methyl)-1,3-propanediyl bismethacrylate
CID 77057
2-Methylprop-2-enoic acid;propane-1,3-diol
CID 16212971
Tri(n-butoxy)titanium methacrylate
CID 15771127
Methacrylic acid trimethylolpropane
CID 21872662
[2-(Hydroxymethyl)-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propyl] prop-2-enoate;2-methylprop-2-enoic acid
CID 158124714
Dibutoxybis(methacrylato)titanium
CID 87586
2-Propenoic acid, 2-methyl-, ester with 2,2'-[oxybis(methylene)]bis[2-(hydroxymethyl)-1,3-propanediol]
CID 44144849
2,2-Dimethylpropane-1,3-diol;2,2-dimethylpropaneperoxoic acid;bis(prop-2-enoic acid)
CID 161264875
Bis(butan-1-ol);bis(2-methylprop-2-enoic acid);titanium
CID 49822522
[2-(Hydroxymethyl)-3-(2-methylprop-2-enoyloxy)-2-[[3-(2-methylprop-2-enoyloxy)-2,2-bis(2-methylprop-2-enoyloxymethyl)propoxy]methyl]propyl] 2-methylprop-2-enoate
CID 13751002
2-(Hydroxymethyl)-2-methylpropane-1,3-diol;2-methylprop-2-enoic acid;propanedioic acid
CID 17783451
Butanedioic acid;2-(hydroxymethyl)-2-methylpropane-1,3-diol;2-methylprop-2-enoic acid
CID 17783463

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-2-methylpropane-1,3-diol;tetrakis(2-methylprop-2-enoic acid)?
The IUPAC name of 2-(hydroxymethyl)-2-methylpropane-1,3-diol;tetrakis(2-methylprop-2-enoic acid) (CID 158865662) is 2-(hydroxymethyl)-2-methylpropane-1,3-diol;tetrakis(2-methylprop-2-enoic acid).
What is the SMILES notation for 2-(hydroxymethyl)-2-methylpropane-1,3-diol;tetrakis(2-methylprop-2-enoic acid)?
The canonical SMILES for 2-(hydroxymethyl)-2-methylpropane-1,3-diol;tetrakis(2-methylprop-2-enoic acid) is C=C(C)C(=O)O.C=C(C)C(=O)O.C=C(C)C(=O)O.C=C(C)C(=O)O.CC(CO)(CO)CO.
What is the InChIKey of 2-(hydroxymethyl)-2-methylpropane-1,3-diol;tetrakis(2-methylprop-2-enoic acid)?
The InChIKey is JBEUGZMOTLBZNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O3.4C4H6O2/c1-5(2-6,3-7)4-8;4*1-3(2)4(5)6/h6-8H,2-4H2,1H3;4*1H2,2H3,(H,5,6).
What are the key properties of 2-(hydroxymethyl)-2-methylpropane-1,3-diol;tetrakis(2-methylprop-2-enoic acid)?
2-(hydroxymethyl)-2-methylpropane-1,3-diol;tetrakis(2-methylprop-2-enoic acid) has a molecular weight of 464.51 g/mol, XLogP of 1.56, 7 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-2-methylpropane-1,3-diol;tetrakis(2-methylprop-2-enoic acid) is sourced from PubChem (CID 158865662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).