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

C21H38O12 — CID 173026059

IUPACethane-1,2-diol;tetrakis(2-methylprop-2-enoic acid);propane-1,2-diol
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(O)CO.OCCO
InChIInChI=1S/4C4H6O2.C3H8O2.C2H6O2/c4*1-3(2)4(5)6;1-3(5)2-4;3-1-2-4/h4*1H2,2H3,(H,5,6);3-5H,2H2,1H3;3-4H,1-2H2
InChIKeyAGJIMIFNOUXRRB-UHFFFAOYSA-N
MW482.52 g/mol
LogP0.92
Rot. Bonds6

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

ethane-1,2-diol;tetrakis(2-methylprop-2-enoic acid);propane-1,2-diol (PubChem CID 173026059) has the molecular formula C21H38O12 and a molecular weight of 482.52 g/mol. Its IUPAC name is ethane-1,2-diol;tetrakis(2-methylprop-2-enoic acid);propane-1,2-diol.

Molecular Properties

Compound Nameethane-1,2-diol;tetrakis(2-methylprop-2-enoic acid);propane-1,2-diol
PubChem CID173026059
Molecular FormulaC21H38O12
Molecular Weight482.52 g/mol
Exact Mass482.24
IUPAC Nameethane-1,2-diol;tetrakis(2-methylprop-2-enoic acid);propane-1,2-diol
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(O)CO.OCCO
InChIInChI=1S/4C4H6O2.C3H8O2.C2H6O2/c4*1-3(2)4(5)6;1-3(5)2-4;3-1-2-4/h4*1H2,2H3,(H,5,6);3-5H,2H2,1H3;3-4H,1-2H2
InChIKeyAGJIMIFNOUXRRB-UHFFFAOYSA-N
XLogP0.92
TPSA230.12 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.52
LogP ≤ 50.92
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

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
bis(2-methylprop-2-enoic acid);tetrakis(propane-1,2-diol)
CID 173141679
bis(ethane-1,2-diol);ethene;2-methylprop-2-enoic acid
CID 173395438
carbonic acid;ethane-1,2-diol;propane-1,2-diol
CID 175558536
2-(2-hydroxypropoxy)propan-1-ol;2-methylprop-2-enoic acid;bis(propane-1,2-diol)
CID 175032657
2-hydroxyethyl prop-2-enoate;2-methylprop-2-enoic acid;propane-1,2-diol
CID 159522271
2,2-dimethylpropane;ethane-1,2-diol;bis(2-methylprop-2-enoic acid)
CID 174523782
carbonic acid;(2S)-propane-1,2-diol
CID 70700046
2-(2-hydroxypropoxy)propan-1-ol;bis(2-methylprop-2-enoic acid)
CID 57347913
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
acetic acid;2-(hydroxymethyl)butane-1,4-diol;2-methylprop-2-enoic acid
CID 173453943

Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diol;tetrakis(2-methylprop-2-enoic acid);propane-1,2-diol?
The IUPAC name of ethane-1,2-diol;tetrakis(2-methylprop-2-enoic acid);propane-1,2-diol (CID 173026059) is ethane-1,2-diol;tetrakis(2-methylprop-2-enoic acid);propane-1,2-diol.
What is the SMILES notation for ethane-1,2-diol;tetrakis(2-methylprop-2-enoic acid);propane-1,2-diol?
The canonical SMILES for ethane-1,2-diol;tetrakis(2-methylprop-2-enoic acid);propane-1,2-diol 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(O)CO.OCCO.
What is the InChIKey of ethane-1,2-diol;tetrakis(2-methylprop-2-enoic acid);propane-1,2-diol?
The InChIKey is AGJIMIFNOUXRRB-UHFFFAOYSA-N. The full InChI is InChI=1S/4C4H6O2.C3H8O2.C2H6O2/c4*1-3(2)4(5)6;1-3(5)2-4;3-1-2-4/h4*1H2,2H3,(H,5,6);3-5H,2H2,1H3;3-4H,1-2H2.
What are the key properties of ethane-1,2-diol;tetrakis(2-methylprop-2-enoic acid);propane-1,2-diol?
ethane-1,2-diol;tetrakis(2-methylprop-2-enoic acid);propane-1,2-diol has a molecular weight of 482.52 g/mol, XLogP of 0.92, 6 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diol;tetrakis(2-methylprop-2-enoic acid);propane-1,2-diol is sourced from PubChem (CID 173026059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).