(4E)-2-ethoxy-4-pentylideneoxolane

C11H20O2 — CID 134890163

IUPAC(4E)-2-ethoxy-4-pentylideneoxolane
SMILESCCCC/C=C1/COC(OCC)C1
InChIInChI=1S/C11H20O2/c1-3-5-6-7-10-8-11(12-4-2)13-9-10/h7,11H,3-6,8-9H2,1-2H3/b10-7+
InChIKeySOBUYYMBUINNJS-JXMROGBWSA-N
MW184.28 g/mol
LogP2.89
Rot. Bonds5

About (4E)-2-ethoxy-4-pentylideneoxolane

(4E)-2-ethoxy-4-pentylideneoxolane (PubChem CID 134890163) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is (4E)-2-ethoxy-4-pentylideneoxolane.

Molecular Properties

Compound Name(4E)-2-ethoxy-4-pentylideneoxolane
PubChem CID134890163
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name(4E)-2-ethoxy-4-pentylideneoxolane
SMILESCCCC/C=C1/COC(OCC)C1
InChIInChI=1S/C11H20O2/c1-3-5-6-7-10-8-11(12-4-2)13-9-10/h7,11H,3-6,8-9H2,1-2H3/b10-7+
InChIKeySOBUYYMBUINNJS-JXMROGBWSA-N
XLogP2.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4E)-2-ethoxy-4-pentylideneoxolane?
The IUPAC name of (4E)-2-ethoxy-4-pentylideneoxolane (CID 134890163) is (4E)-2-ethoxy-4-pentylideneoxolane.
What is the SMILES notation for (4E)-2-ethoxy-4-pentylideneoxolane?
The canonical SMILES for (4E)-2-ethoxy-4-pentylideneoxolane is CCCC/C=C1/COC(OCC)C1.
What is the InChIKey of (4E)-2-ethoxy-4-pentylideneoxolane?
The InChIKey is SOBUYYMBUINNJS-JXMROGBWSA-N. The full InChI is InChI=1S/C11H20O2/c1-3-5-6-7-10-8-11(12-4-2)13-9-10/h7,11H,3-6,8-9H2,1-2H3/b10-7+.
What are the key properties of (4E)-2-ethoxy-4-pentylideneoxolane?
(4E)-2-ethoxy-4-pentylideneoxolane has a molecular weight of 184.28 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-2-ethoxy-4-pentylideneoxolane is sourced from PubChem (CID 134890163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).