bis(2-methylprop-2-enoic acid);tetrakis(propane-1,2-diol)

C20H44O12 — CID 173141679

IUPACbis(2-methylprop-2-enoic acid);tetrakis(propane-1,2-diol)
SMILESC=C(C)C(=O)O.C=C(C)C(=O)O.CC(O)CO.CC(O)CO.CC(O)CO.CC(O)CO
InChIInChI=1S/2C4H6O2.4C3H8O2/c2*1-3(2)4(5)6;4*1-3(5)2-4/h2*1H2,2H3,(H,5,6);4*3-5H,2H2,1H3
InChIKeyOYZMAKBGDJKUGX-UHFFFAOYSA-N
MW476.56 g/mol
LogP-1.27
Rot. Bonds6

About bis(2-methylprop-2-enoic acid);tetrakis(propane-1,2-diol)

bis(2-methylprop-2-enoic acid);tetrakis(propane-1,2-diol) (PubChem CID 173141679) has the molecular formula C20H44O12 and a molecular weight of 476.56 g/mol. Its IUPAC name is bis(2-methylprop-2-enoic acid);tetrakis(propane-1,2-diol).

Molecular Properties

Compound Namebis(2-methylprop-2-enoic acid);tetrakis(propane-1,2-diol)
PubChem CID173141679
Molecular FormulaC20H44O12
Molecular Weight476.56 g/mol
Exact Mass476.28
IUPAC Namebis(2-methylprop-2-enoic acid);tetrakis(propane-1,2-diol)
SMILESC=C(C)C(=O)O.C=C(C)C(=O)O.CC(O)CO.CC(O)CO.CC(O)CO.CC(O)CO
InChIInChI=1S/2C4H6O2.4C3H8O2/c2*1-3(2)4(5)6;4*1-3(5)2-4/h2*1H2,2H3,(H,5,6);4*3-5H,2H2,1H3
InChIKeyOYZMAKBGDJKUGX-UHFFFAOYSA-N
XLogP-1.27
TPSA236.44 Ų
H-Bond Donors10
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.56
LogP ≤ 5-1.27
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

2-methylprop-2-enoic acid;hexakis(propane-1,2-diol)
CID 172778352
ethane-1,2-diol;tetrakis(2-methylprop-2-enoic acid);propane-1,2-diol
CID 173026059
2-(2-hydroxypropoxy)propan-1-ol;2-methylprop-2-enoic acid;bis(propane-1,2-diol)
CID 175032657
carbonic acid;(2S)-propane-1,2-diol
CID 70700046
2-(2-hydroxypropoxy)propan-1-ol;bis(2-methylprop-2-enoic acid)
CID 57347913
2-hydroxyethyl prop-2-enoate;2-methylprop-2-enoic acid;propane-1,2-diol
CID 159522271
2-methylprop-2-enoic acid;phosphoric acid;propane-1,2,3-triol
CID 122512063
3-chloropropane-1,2-diol;bis(2-methylprop-2-enoic acid)
CID 71431738
2-methylprop-2-eneperoxoic acid;propane-1,2-diol
CID 87451287
butanedioic acid;bis(2-methylprop-2-enoic acid);propane-1,2,3-triol
CID 162197824
2-ethylpropane-1,3-diol;tris(2-methylprop-2-enoic acid)
CID 23373856
carbonic acid;ethane-1,2-diol;propane-1,2-diol
CID 175558536

Frequently Asked Questions

What is the IUPAC name of bis(2-methylprop-2-enoic acid);tetrakis(propane-1,2-diol)?
The IUPAC name of bis(2-methylprop-2-enoic acid);tetrakis(propane-1,2-diol) (CID 173141679) is bis(2-methylprop-2-enoic acid);tetrakis(propane-1,2-diol).
What is the SMILES notation for bis(2-methylprop-2-enoic acid);tetrakis(propane-1,2-diol)?
The canonical SMILES for bis(2-methylprop-2-enoic acid);tetrakis(propane-1,2-diol) is C=C(C)C(=O)O.C=C(C)C(=O)O.CC(O)CO.CC(O)CO.CC(O)CO.CC(O)CO.
What is the InChIKey of bis(2-methylprop-2-enoic acid);tetrakis(propane-1,2-diol)?
The InChIKey is OYZMAKBGDJKUGX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H6O2.4C3H8O2/c2*1-3(2)4(5)6;4*1-3(5)2-4/h2*1H2,2H3,(H,5,6);4*3-5H,2H2,1H3.
What are the key properties of bis(2-methylprop-2-enoic acid);tetrakis(propane-1,2-diol)?
bis(2-methylprop-2-enoic acid);tetrakis(propane-1,2-diol) has a molecular weight of 476.56 g/mol, XLogP of -1.27, 6 rotatable bonds, 10 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methylprop-2-enoic acid);tetrakis(propane-1,2-diol) is sourced from PubChem (CID 173141679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).