2-ethyl-2-(propoxymethyl)oxolane

C10H20O2 — CID 91803070

IUPAC2-ethyl-2-(propoxymethyl)oxolane
SMILESCCCOCC1(CC)CCCO1
InChIInChI=1S/C10H20O2/c1-3-7-11-9-10(4-2)6-5-8-12-10/h3-9H2,1-2H3
InChIKeyBCCBTGDYIOOSLH-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.37
Rot. Bonds5

About 2-ethyl-2-(propoxymethyl)oxolane

2-ethyl-2-(propoxymethyl)oxolane (PubChem CID 91803070) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 2-ethyl-2-(propoxymethyl)oxolane.

Molecular Properties

Compound Name2-ethyl-2-(propoxymethyl)oxolane
PubChem CID91803070
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name2-ethyl-2-(propoxymethyl)oxolane
SMILESCCCOCC1(CC)CCCO1
InChIInChI=1S/C10H20O2/c1-3-7-11-9-10(4-2)6-5-8-12-10/h3-9H2,1-2H3
InChIKeyBCCBTGDYIOOSLH-UHFFFAOYSA-N
XLogP2.37
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.37
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-ethyl-2-(propoxymethyl)oxolane?
The IUPAC name of 2-ethyl-2-(propoxymethyl)oxolane (CID 91803070) is 2-ethyl-2-(propoxymethyl)oxolane.
What is the SMILES notation for 2-ethyl-2-(propoxymethyl)oxolane?
The canonical SMILES for 2-ethyl-2-(propoxymethyl)oxolane is CCCOCC1(CC)CCCO1.
What is the InChIKey of 2-ethyl-2-(propoxymethyl)oxolane?
The InChIKey is BCCBTGDYIOOSLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-3-7-11-9-10(4-2)6-5-8-12-10/h3-9H2,1-2H3.
What are the key properties of 2-ethyl-2-(propoxymethyl)oxolane?
2-ethyl-2-(propoxymethyl)oxolane has a molecular weight of 172.27 g/mol, XLogP of 2.37, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(propoxymethyl)oxolane is sourced from PubChem (CID 91803070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).