ethene;ethoxyethane;propane-1,2,3-triol

C9H22O4 — CID 175604440

IUPACethene;ethoxyethane;propane-1,2,3-triol
SMILESC=C.CCOCC.OCC(O)CO
InChIInChI=1S/C4H10O.C3H8O3.C2H4/c1-3-5-4-2;4-1-3(6)2-5;1-2/h3-4H2,1-2H3;3-6H,1-2H2;1-2H2
InChIKeyIOQYLMWGNGZSOH-UHFFFAOYSA-N
MW194.27 g/mol
LogP0.18
Rot. Bonds4

About ethene;ethoxyethane;propane-1,2,3-triol

ethene;ethoxyethane;propane-1,2,3-triol (PubChem CID 175604440) has the molecular formula C9H22O4 and a molecular weight of 194.27 g/mol. Its IUPAC name is ethene;ethoxyethane;propane-1,2,3-triol.

Molecular Properties

Compound Nameethene;ethoxyethane;propane-1,2,3-triol
PubChem CID175604440
Molecular FormulaC9H22O4
Molecular Weight194.27 g/mol
Exact Mass194.15
IUPAC Nameethene;ethoxyethane;propane-1,2,3-triol
SMILESC=C.CCOCC.OCC(O)CO
InChIInChI=1S/C4H10O.C3H8O3.C2H4/c1-3-5-4-2;4-1-3(6)2-5;1-2/h3-4H2,1-2H3;3-6H,1-2H2;1-2H2
InChIKeyIOQYLMWGNGZSOH-UHFFFAOYSA-N
XLogP0.18
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethoxyethane;decakis(propane-1,2,3-triol)
CID 173290324
ethene;ethoxyethane;propane-1,2-diol
CID 87065647
ethoxyethane;phosphoric acid;propane-1,2,3-triol
CID 87153916
ethene;propane;propane-1,2,3-triol
CID 87089727
butane-1,1-diol;ethoxyethane;propane-1,2,3-triol
CID 87275832
ethanol;ethene;ethoxyethane
CID 139434375
ethane-1,2-diol;ethene;ethoxyethane
CID 173171004
ethane-1,2-diol;ethene;ethoxyethane
CID 173009607
sodium;3-ethoxypropane-1,2-diol;hydride
CID 173234204
ethoxyethane;hexane-1,2,6-triol
CID 19434693
2,2-dichloroethanol;ethoxyethane
CID 22662862
3-[2-(2-ethoxyethoxy)ethoxy]propane-1,2-diol
CID 57186683

Frequently Asked Questions

What is the IUPAC name of ethene;ethoxyethane;propane-1,2,3-triol?
The IUPAC name of ethene;ethoxyethane;propane-1,2,3-triol (CID 175604440) is ethene;ethoxyethane;propane-1,2,3-triol.
What is the SMILES notation for ethene;ethoxyethane;propane-1,2,3-triol?
The canonical SMILES for ethene;ethoxyethane;propane-1,2,3-triol is C=C.CCOCC.OCC(O)CO.
What is the InChIKey of ethene;ethoxyethane;propane-1,2,3-triol?
The InChIKey is IOQYLMWGNGZSOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O.C3H8O3.C2H4/c1-3-5-4-2;4-1-3(6)2-5;1-2/h3-4H2,1-2H3;3-6H,1-2H2;1-2H2.
What are the key properties of ethene;ethoxyethane;propane-1,2,3-triol?
ethene;ethoxyethane;propane-1,2,3-triol has a molecular weight of 194.27 g/mol, XLogP of 0.18, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;ethoxyethane;propane-1,2,3-triol is sourced from PubChem (CID 175604440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).