5-butoxy-2-ethyl-3-methyloxolane

C11H22O2 — CID 164686404

IUPAC5-butoxy-2-ethyl-3-methyloxolane
SMILESCCCCOC1CC(C)C(CC)O1
InChIInChI=1S/C11H22O2/c1-4-6-7-12-11-8-9(3)10(5-2)13-11/h9-11H,4-8H2,1-3H3
InChIKeyLHAVTZQHHYSENT-UHFFFAOYSA-N
MW186.29 g/mol
LogP2.96
Rot. Bonds5

About 5-butoxy-2-ethyl-3-methyloxolane

5-butoxy-2-ethyl-3-methyloxolane (PubChem CID 164686404) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is 5-butoxy-2-ethyl-3-methyloxolane.

Molecular Properties

Compound Name5-butoxy-2-ethyl-3-methyloxolane
PubChem CID164686404
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name5-butoxy-2-ethyl-3-methyloxolane
SMILESCCCCOC1CC(C)C(CC)O1
InChIInChI=1S/C11H22O2/c1-4-6-7-12-11-8-9(3)10(5-2)13-11/h9-11H,4-8H2,1-3H3
InChIKeyLHAVTZQHHYSENT-UHFFFAOYSA-N
XLogP2.96
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 52.96
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 5-butoxy-2-ethyl-3-methyloxolane?
The IUPAC name of 5-butoxy-2-ethyl-3-methyloxolane (CID 164686404) is 5-butoxy-2-ethyl-3-methyloxolane.
What is the SMILES notation for 5-butoxy-2-ethyl-3-methyloxolane?
The canonical SMILES for 5-butoxy-2-ethyl-3-methyloxolane is CCCCOC1CC(C)C(CC)O1.
What is the InChIKey of 5-butoxy-2-ethyl-3-methyloxolane?
The InChIKey is LHAVTZQHHYSENT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-4-6-7-12-11-8-9(3)10(5-2)13-11/h9-11H,4-8H2,1-3H3.
What are the key properties of 5-butoxy-2-ethyl-3-methyloxolane?
5-butoxy-2-ethyl-3-methyloxolane has a molecular weight of 186.29 g/mol, XLogP of 2.96, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butoxy-2-ethyl-3-methyloxolane is sourced from PubChem (CID 164686404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).