ethanol;ethene;ethoxyethane

C8H20O2 — CID 139434375

IUPACethanol;ethene;ethoxyethane
SMILESC=C.CCO.CCOCC
InChIInChI=1S/C4H10O.C2H6O.C2H4/c1-3-5-4-2;1-2-3;1-2/h3-4H2,1-2H3;3H,2H2,1H3;1-2H2
InChIKeyIOMDTVVWGJVTLK-UHFFFAOYSA-N
MW148.25 g/mol
LogP1.84
Rot. Bonds2

About ethanol;ethene;ethoxyethane

ethanol;ethene;ethoxyethane (PubChem CID 139434375) has the molecular formula C8H20O2 and a molecular weight of 148.25 g/mol. Its IUPAC name is ethanol;ethene;ethoxyethane.

Molecular Properties

Compound Nameethanol;ethene;ethoxyethane
PubChem CID139434375
Molecular FormulaC8H20O2
Molecular Weight148.25 g/mol
Exact Mass148.15
IUPAC Nameethanol;ethene;ethoxyethane
SMILESC=C.CCO.CCOCC
InChIInChI=1S/C4H10O.C2H6O.C2H4/c1-3-5-4-2;1-2-3;1-2/h3-4H2,1-2H3;3H,2H2,1H3;1-2H2
InChIKeyIOMDTVVWGJVTLK-UHFFFAOYSA-N
XLogP1.84
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.25
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane-1,2-diol;ethene;ethoxyethane
CID 173171004
ethane-1,2-diol;ethene;ethoxyethane
CID 173009607
tris(ethane-1,2-diol);ethoxyethane
CID 173395808
chloroform;ethanol;ethoxyethane
CID 87752781
ethoxyethane
CID 18694919
ethoxyethane
CID 19002445
ethene;ethoxyethane;propane-1,2,3-triol
CID 175604440
ethene;ethoxyethane;propane-1,2-diol
CID 87065647
ethoxyethane;2-methylprop-1-ene
CID 19913928
ethoxyethane;hydroxylamine
CID 135816400
ethoxyethane;formaldehyde
CID 174286087
bis(ethane-1,2-diol);ethoxyethane;bis(prop-1-ene)
CID 173332144

Frequently Asked Questions

What is the IUPAC name of ethanol;ethene;ethoxyethane?
The IUPAC name of ethanol;ethene;ethoxyethane (CID 139434375) is ethanol;ethene;ethoxyethane.
What is the SMILES notation for ethanol;ethene;ethoxyethane?
The canonical SMILES for ethanol;ethene;ethoxyethane is C=C.CCO.CCOCC.
What is the InChIKey of ethanol;ethene;ethoxyethane?
The InChIKey is IOMDTVVWGJVTLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O.C2H6O.C2H4/c1-3-5-4-2;1-2-3;1-2/h3-4H2,1-2H3;3H,2H2,1H3;1-2H2.
What are the key properties of ethanol;ethene;ethoxyethane?
ethanol;ethene;ethoxyethane has a molecular weight of 148.25 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;ethene;ethoxyethane is sourced from PubChem (CID 139434375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).