2-ethoxyethanol;oxolan-2-ylmethanol

C9H20O4 — CID 70426292

IUPAC2-ethoxyethanol;oxolan-2-ylmethanol
SMILESCCOCCO.OCC1CCCO1
InChIInChI=1S/C5H10O2.C4H10O2/c6-4-5-2-1-3-7-5;1-2-6-4-3-5/h5-6H,1-4H2;5H,2-4H2,1H3
InChIKeyZTKZQAGLHLKGJG-UHFFFAOYSA-N
MW192.25 g/mol
LogP0.17
Rot. Bonds4

About 2-ethoxyethanol;oxolan-2-ylmethanol

2-ethoxyethanol;oxolan-2-ylmethanol (PubChem CID 70426292) has the molecular formula C9H20O4 and a molecular weight of 192.25 g/mol. Its IUPAC name is 2-ethoxyethanol;oxolan-2-ylmethanol.

Molecular Properties

Compound Name2-ethoxyethanol;oxolan-2-ylmethanol
PubChem CID70426292
Molecular FormulaC9H20O4
Molecular Weight192.25 g/mol
Exact Mass192.14
IUPAC Name2-ethoxyethanol;oxolan-2-ylmethanol
SMILESCCOCCO.OCC1CCCO1
InChIInChI=1S/C5H10O2.C4H10O2/c6-4-5-2-1-3-7-5;1-2-6-4-3-5/h5-6H,1-4H2;5H,2-4H2,1H3
InChIKeyZTKZQAGLHLKGJG-UHFFFAOYSA-N
XLogP0.17
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.25
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methanol;[(2S)-oxolan-2-yl]methanol
CID 144618761
2-ethoxyoxolane;oxolan-2-ylmethanol
CID 160542333
hydron;oxolan-2-ylmethanol
CID 174439667
oxolan-2-ylmethanol;hydrochloride
CID 155166529
ethanol;oxan-2-ylmethanol
CID 66900182
calcium;hydride;oxolan-2-ylmethanol
CID 173198677
2-[[(2R)-oxan-2-yl]methoxy]ethanol
CID 91298433
[(2S)-oxan-2-yl]methanol
CID 6950811
ethane;[(2S)-oxan-2-yl]methanol;hydrate
CID 168916263
3-ethoxy-N-(oxolan-2-ylmethyl)propan-1-amine
CID 43180080
oxane;oxolan-2-ylmethanol
CID 70368060
carbonochloridic acid;oxolan-2-ylmethanol
CID 161118728

Frequently Asked Questions

What is the IUPAC name of 2-ethoxyethanol;oxolan-2-ylmethanol?
The IUPAC name of 2-ethoxyethanol;oxolan-2-ylmethanol (CID 70426292) is 2-ethoxyethanol;oxolan-2-ylmethanol.
What is the SMILES notation for 2-ethoxyethanol;oxolan-2-ylmethanol?
The canonical SMILES for 2-ethoxyethanol;oxolan-2-ylmethanol is CCOCCO.OCC1CCCO1.
What is the InChIKey of 2-ethoxyethanol;oxolan-2-ylmethanol?
The InChIKey is ZTKZQAGLHLKGJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O2.C4H10O2/c6-4-5-2-1-3-7-5;1-2-6-4-3-5/h5-6H,1-4H2;5H,2-4H2,1H3.
What are the key properties of 2-ethoxyethanol;oxolan-2-ylmethanol?
2-ethoxyethanol;oxolan-2-ylmethanol has a molecular weight of 192.25 g/mol, XLogP of 0.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyethanol;oxolan-2-ylmethanol is sourced from PubChem (CID 70426292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).