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

C14H22O10 — CID 157215005

IUPACethane-1,2-diol;tetrakis(prop-2-enoic acid)
SMILESC=CC(=O)O.C=CC(=O)O.C=CC(=O)O.C=CC(=O)O.OCCO
InChIInChI=1S/4C3H4O2.C2H6O2/c4*1-2-3(4)5;3-1-2-4/h4*2H,1H2,(H,4,5);3-4H,1-2H2
InChIKeyASHUJYGJHFVHFA-UHFFFAOYSA-N
MW350.32 g/mol
LogP-0.00
Rot. Bonds5

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

ethane-1,2-diol;tetrakis(prop-2-enoic acid) (PubChem CID 157215005) has the molecular formula C14H22O10 and a molecular weight of 350.32 g/mol. Its IUPAC name is ethane-1,2-diol;tetrakis(prop-2-enoic acid).

Molecular Properties

Compound Nameethane-1,2-diol;tetrakis(prop-2-enoic acid)
PubChem CID157215005
Molecular FormulaC14H22O10
Molecular Weight350.32 g/mol
Exact Mass350.12
IUPAC Nameethane-1,2-diol;tetrakis(prop-2-enoic acid)
SMILESC=CC(=O)O.C=CC(=O)O.C=CC(=O)O.C=CC(=O)O.OCCO
InChIInChI=1S/4C3H4O2.C2H6O2/c4*1-2-3(4)5;3-1-2-4/h4*2H,1H2,(H,4,5);3-4H,1-2H2
InChIKeyASHUJYGJHFVHFA-UHFFFAOYSA-N
XLogP-0.00
TPSA189.66 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.32
LogP ≤ 5-0.00
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

dodecakis(ethane-1,2-diol);tridecakis(prop-2-enoic acid)
CID 173073218
calcium;ethane-1,2-diol;hydride;prop-2-enoic acid
CID 174540831
propan-1-ol;tetrakis(prop-2-enoic acid)
CID 158521080
2-aminoethanol;prop-2-enoic acid
CID 19812730
bis(ethane-1,2-diol);2-methylprop-2-enoic acid;prop-2-enoic acid
CID 173402530
prop-2-enoic acid;silylmethanol
CID 175499184
ethanol;prop-2-enoic acid
CID 159350313
azane;prop-2-enoic acid
CID 173158019
prop-2-enoic acid;hexahydrate
CID 172682107
bis(prop-2-enoic acid);hydrochloride
CID 88811054
iron(2+);prop-2-enoic acid
CID 10290804
cerium;bis(prop-2-enoic acid)
CID 169316659

Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diol;tetrakis(prop-2-enoic acid)?
The IUPAC name of ethane-1,2-diol;tetrakis(prop-2-enoic acid) (CID 157215005) is ethane-1,2-diol;tetrakis(prop-2-enoic acid).
What is the SMILES notation for ethane-1,2-diol;tetrakis(prop-2-enoic acid)?
The canonical SMILES for ethane-1,2-diol;tetrakis(prop-2-enoic acid) is C=CC(=O)O.C=CC(=O)O.C=CC(=O)O.C=CC(=O)O.OCCO.
What is the InChIKey of ethane-1,2-diol;tetrakis(prop-2-enoic acid)?
The InChIKey is ASHUJYGJHFVHFA-UHFFFAOYSA-N. The full InChI is InChI=1S/4C3H4O2.C2H6O2/c4*1-2-3(4)5;3-1-2-4/h4*2H,1H2,(H,4,5);3-4H,1-2H2.
What are the key properties of ethane-1,2-diol;tetrakis(prop-2-enoic acid)?
ethane-1,2-diol;tetrakis(prop-2-enoic acid) has a molecular weight of 350.32 g/mol, XLogP of -0.00, 5 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diol;tetrakis(prop-2-enoic acid) is sourced from PubChem (CID 157215005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).