2-(diethoxymethyl)oxolane

C9H18O3 — CID 13227090

IUPAC2-(diethoxymethyl)oxolane
SMILESCCOC(OCC)C1CCCO1
InChIInChI=1S/C9H18O3/c1-3-10-9(11-4-2)8-6-5-7-12-8/h8-9H,3-7H2,1-2H3
InChIKeyYWOCHJVTMOYXCO-UHFFFAOYSA-N
MW174.24 g/mol
LogP1.56
Rot. Bonds5

About 2-(diethoxymethyl)oxolane

2-(diethoxymethyl)oxolane (PubChem CID 13227090) has the molecular formula C9H18O3 and a molecular weight of 174.24 g/mol. Its IUPAC name is 2-(diethoxymethyl)oxolane.

Molecular Properties

Compound Name2-(diethoxymethyl)oxolane
PubChem CID13227090
Molecular FormulaC9H18O3
Molecular Weight174.24 g/mol
Exact Mass174.13
IUPAC Name2-(diethoxymethyl)oxolane
SMILESCCOC(OCC)C1CCCO1
InChIInChI=1S/C9H18O3/c1-3-10-9(11-4-2)8-6-5-7-12-8/h8-9H,3-7H2,1-2H3
InChIKeyYWOCHJVTMOYXCO-UHFFFAOYSA-N
XLogP1.56
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(diethoxymethyl)oxolane?
The IUPAC name of 2-(diethoxymethyl)oxolane (CID 13227090) is 2-(diethoxymethyl)oxolane.
What is the SMILES notation for 2-(diethoxymethyl)oxolane?
The canonical SMILES for 2-(diethoxymethyl)oxolane is CCOC(OCC)C1CCCO1.
What is the InChIKey of 2-(diethoxymethyl)oxolane?
The InChIKey is YWOCHJVTMOYXCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O3/c1-3-10-9(11-4-2)8-6-5-7-12-8/h8-9H,3-7H2,1-2H3.
What are the key properties of 2-(diethoxymethyl)oxolane?
2-(diethoxymethyl)oxolane has a molecular weight of 174.24 g/mol, XLogP of 1.56, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethoxymethyl)oxolane is sourced from PubChem (CID 13227090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).