2-propoxyethanol

C5H12O2 — CID 17756

IUPAC2-propoxyethanol
SMILESCCCOCCO
InChIInChI=1S/C5H12O2/c1-2-4-7-5-3-6/h6H,2-5H2,1H3
InChIKeyYEYKMVJDLWJFOA-UHFFFAOYSA-N
MW104.15 g/mol
LogP0.41
Rot. Bonds4

About 2-propoxyethanol

2-propoxyethanol (PubChem CID 17756) has the molecular formula C5H12O2 and a molecular weight of 104.15 g/mol. Its IUPAC name is 2-propoxyethanol.

Molecular Properties

Compound Name2-propoxyethanol
PubChem CID17756
Molecular FormulaC5H12O2
Molecular Weight104.15 g/mol
Exact Mass104.08
IUPAC Name2-propoxyethanol
SMILESCCCOCCO
InChIInChI=1S/C5H12O2/c1-2-4-7-5-3-6/h6H,2-5H2,1H3
InChIKeyYEYKMVJDLWJFOA-UHFFFAOYSA-N
XLogP0.41
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.15
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-propoxyethanol?
The IUPAC name of 2-propoxyethanol (CID 17756) is 2-propoxyethanol.
What is the SMILES notation for 2-propoxyethanol?
The canonical SMILES for 2-propoxyethanol is CCCOCCO.
What is the InChIKey of 2-propoxyethanol?
The InChIKey is YEYKMVJDLWJFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O2/c1-2-4-7-5-3-6/h6H,2-5H2,1H3.
What are the key properties of 2-propoxyethanol?
2-propoxyethanol has a molecular weight of 104.15 g/mol, XLogP of 0.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propoxyethanol is sourced from PubChem (CID 17756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).