2-ethoxyethanol;oxolane

C8H18O3 — CID 21274334

IUPAC2-ethoxyethanol;oxolane
SMILESC1CCOC1.CCOCCO
InChIInChI=1S/C4H10O2.C4H8O/c1-2-6-4-3-5;1-2-4-5-3-1/h5H,2-4H2,1H3;1-4H2
InChIKeyZMOYIRUUZJKQSJ-UHFFFAOYSA-N
MW162.23 g/mol
LogP0.81
Rot. Bonds3

About 2-ethoxyethanol;oxolane

2-ethoxyethanol;oxolane (PubChem CID 21274334) has the molecular formula C8H18O3 and a molecular weight of 162.23 g/mol. Its IUPAC name is 2-ethoxyethanol;oxolane.

Molecular Properties

Compound Name2-ethoxyethanol;oxolane
PubChem CID21274334
Molecular FormulaC8H18O3
Molecular Weight162.23 g/mol
Exact Mass162.13
IUPAC Name2-ethoxyethanol;oxolane
SMILESC1CCOC1.CCOCCO
InChIInChI=1S/C4H10O2.C4H8O/c1-2-6-4-3-5;1-2-4-5-3-1/h5H,2-4H2,1H3;1-4H2
InChIKeyZMOYIRUUZJKQSJ-UHFFFAOYSA-N
XLogP0.81
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxyethanol;oxolane?
The IUPAC name of 2-ethoxyethanol;oxolane (CID 21274334) is 2-ethoxyethanol;oxolane.
What is the SMILES notation for 2-ethoxyethanol;oxolane?
The canonical SMILES for 2-ethoxyethanol;oxolane is C1CCOC1.CCOCCO.
What is the InChIKey of 2-ethoxyethanol;oxolane?
The InChIKey is ZMOYIRUUZJKQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O2.C4H8O/c1-2-6-4-3-5;1-2-4-5-3-1/h5H,2-4H2,1H3;1-4H2.
What are the key properties of 2-ethoxyethanol;oxolane?
2-ethoxyethanol;oxolane has a molecular weight of 162.23 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyethanol;oxolane is sourced from PubChem (CID 21274334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).