ethane-1,2-diol;1-ethoxybutane

C8H20O3 — CID 23504299

IUPACethane-1,2-diol;1-ethoxybutane
SMILESCCCCOCC.OCCO
InChIInChI=1S/C6H14O.C2H6O2/c1-3-5-6-7-4-2;3-1-2-4/h3-6H2,1-2H3;3-4H,1-2H2
InChIKeyXARJPJWBODVIKL-UHFFFAOYSA-N
MW164.24 g/mol
LogP0.79
Rot. Bonds5

About ethane-1,2-diol;1-ethoxybutane

ethane-1,2-diol;1-ethoxybutane (PubChem CID 23504299) has the molecular formula C8H20O3 and a molecular weight of 164.24 g/mol. Its IUPAC name is ethane-1,2-diol;1-ethoxybutane.

Molecular Properties

Compound Nameethane-1,2-diol;1-ethoxybutane
PubChem CID23504299
Molecular FormulaC8H20O3
Molecular Weight164.24 g/mol
Exact Mass164.14
IUPAC Nameethane-1,2-diol;1-ethoxybutane
SMILESCCCCOCC.OCCO
InChIInChI=1S/C6H14O.C2H6O2/c1-3-5-6-7-4-2;3-1-2-4/h3-6H2,1-2H3;3-4H,1-2H2
InChIKeyXARJPJWBODVIKL-UHFFFAOYSA-N
XLogP0.79
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.24
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-butoxybutane;1-ethoxy-2-(2-ethoxyethoxy)ethane;2-(2-hydroxyethoxy)ethanol
CID 118657939
bis(ethane-1,2-diol);ethoxyethane;1-ethoxyhexane
CID 173106900
ethane;1-ethoxybutane
CID 143206406
ethane-1,2-diol;ethoxyethane;1-methoxybutane
CID 87456565
2-(2-butoxyethoxy)ethanol;ethane-1,2-diol;2-(2-hydroxyethoxy)ethanol;2-[2-(2-hydroxyethoxy)ethoxy]ethanol
CID 174801063
2-(2-butoxyethoxy)ethanol;ethane-1,2-diol
CID 18459544
1-butoxybutane;3-butoxypropan-1-ol
CID 174728954
butan-1-ol;1-butoxybutane
CID 19700093
ethane;1-ethoxybutane;molecular hydrogen
CID 143792167
2-butoxyethanol
CID 8133
1-(3-ethoxypropylperoxy)butane
CID 154387522
ethane-1,2-diol;1-pentoxyheptane
CID 175114778

Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diol;1-ethoxybutane?
The IUPAC name of ethane-1,2-diol;1-ethoxybutane (CID 23504299) is ethane-1,2-diol;1-ethoxybutane.
What is the SMILES notation for ethane-1,2-diol;1-ethoxybutane?
The canonical SMILES for ethane-1,2-diol;1-ethoxybutane is CCCCOCC.OCCO.
What is the InChIKey of ethane-1,2-diol;1-ethoxybutane?
The InChIKey is XARJPJWBODVIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O.C2H6O2/c1-3-5-6-7-4-2;3-1-2-4/h3-6H2,1-2H3;3-4H,1-2H2.
What are the key properties of ethane-1,2-diol;1-ethoxybutane?
ethane-1,2-diol;1-ethoxybutane has a molecular weight of 164.24 g/mol, XLogP of 0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diol;1-ethoxybutane is sourced from PubChem (CID 23504299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).