ethene;ethenoxyethene;2-ethyl-2-(hydroxymethyl)propane-1,3-diol

C12H24O4 — CID 22174281

IUPACethene;ethenoxyethene;2-ethyl-2-(hydroxymethyl)propane-1,3-diol
SMILESC=C.C=COC=C.CCC(CO)(CO)CO
InChIInChI=1S/C6H14O3.C4H6O.C2H4/c1-2-6(3-7,4-8)5-9;1-3-5-4-2;1-2/h7-9H,2-5H2,1H3;3-4H,1-2H2;1-2H2
InChIKeyUZUVUQTZSXOKKY-UHFFFAOYSA-N
MW232.32 g/mol
LogP1.45
Rot. Bonds6

About ethene;ethenoxyethene;2-ethyl-2-(hydroxymethyl)propane-1,3-diol

ethene;ethenoxyethene;2-ethyl-2-(hydroxymethyl)propane-1,3-diol (PubChem CID 22174281) has the molecular formula C12H24O4 and a molecular weight of 232.32 g/mol. Its IUPAC name is ethene;ethenoxyethene;2-ethyl-2-(hydroxymethyl)propane-1,3-diol.

Molecular Properties

Compound Nameethene;ethenoxyethene;2-ethyl-2-(hydroxymethyl)propane-1,3-diol
PubChem CID22174281
Molecular FormulaC12H24O4
Molecular Weight232.32 g/mol
Exact Mass232.17
IUPAC Nameethene;ethenoxyethene;2-ethyl-2-(hydroxymethyl)propane-1,3-diol
SMILESC=C.C=COC=C.CCC(CO)(CO)CO
InChIInChI=1S/C6H14O3.C4H6O.C2H4/c1-2-6(3-7,4-8)5-9;1-3-5-4-2;1-2/h7-9H,2-5H2,1H3;3-4H,1-2H2;1-2H2
InChIKeyUZUVUQTZSXOKKY-UHFFFAOYSA-N
XLogP1.45
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethene;ethenoxyethene;2-ethyl-2-(hydroxymethyl)propane-1,3-diol?
The IUPAC name of ethene;ethenoxyethene;2-ethyl-2-(hydroxymethyl)propane-1,3-diol (CID 22174281) is ethene;ethenoxyethene;2-ethyl-2-(hydroxymethyl)propane-1,3-diol.
What is the SMILES notation for ethene;ethenoxyethene;2-ethyl-2-(hydroxymethyl)propane-1,3-diol?
The canonical SMILES for ethene;ethenoxyethene;2-ethyl-2-(hydroxymethyl)propane-1,3-diol is C=C.C=COC=C.CCC(CO)(CO)CO.
What is the InChIKey of ethene;ethenoxyethene;2-ethyl-2-(hydroxymethyl)propane-1,3-diol?
The InChIKey is UZUVUQTZSXOKKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O3.C4H6O.C2H4/c1-2-6(3-7,4-8)5-9;1-3-5-4-2;1-2/h7-9H,2-5H2,1H3;3-4H,1-2H2;1-2H2.
What are the key properties of ethene;ethenoxyethene;2-ethyl-2-(hydroxymethyl)propane-1,3-diol?
ethene;ethenoxyethene;2-ethyl-2-(hydroxymethyl)propane-1,3-diol has a molecular weight of 232.32 g/mol, XLogP of 1.45, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;ethenoxyethene;2-ethyl-2-(hydroxymethyl)propane-1,3-diol is sourced from PubChem (CID 22174281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).