2-(propoxymethyl)oxolane

C8H16O2 — CID 54182723

IUPAC2-(propoxymethyl)oxolane
SMILESCCCOCC1CCCO1
InChIInChI=1S/C8H16O2/c1-2-5-9-7-8-4-3-6-10-8/h8H,2-7H2,1H3
InChIKeyKOJGQOMKJLGGPI-UHFFFAOYSA-N
MW144.21 g/mol
LogP1.59
Rot. Bonds4

About 2-(propoxymethyl)oxolane

2-(propoxymethyl)oxolane (PubChem CID 54182723) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 2-(propoxymethyl)oxolane.

Molecular Properties

Compound Name2-(propoxymethyl)oxolane
PubChem CID54182723
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name2-(propoxymethyl)oxolane
SMILESCCCOCC1CCCO1
InChIInChI=1S/C8H16O2/c1-2-5-9-7-8-4-3-6-10-8/h8H,2-7H2,1H3
InChIKeyKOJGQOMKJLGGPI-UHFFFAOYSA-N
XLogP1.59
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.59
H-Bond Donors ≤ 50
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-(propoxymethyl)oxolane?
The IUPAC name of 2-(propoxymethyl)oxolane (CID 54182723) is 2-(propoxymethyl)oxolane.
What is the SMILES notation for 2-(propoxymethyl)oxolane?
The canonical SMILES for 2-(propoxymethyl)oxolane is CCCOCC1CCCO1.
What is the InChIKey of 2-(propoxymethyl)oxolane?
The InChIKey is KOJGQOMKJLGGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-2-5-9-7-8-4-3-6-10-8/h8H,2-7H2,1H3.
What are the key properties of 2-(propoxymethyl)oxolane?
2-(propoxymethyl)oxolane has a molecular weight of 144.21 g/mol, XLogP of 1.59, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propoxymethyl)oxolane is sourced from PubChem (CID 54182723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).