3-[(E)-3-propyloct-6-enoxy]oxolane

C15H28O2 — CID 142475445

IUPAC3-[(E)-3-propyloct-6-enoxy]oxolane
SMILESC/C=C/CCC(CCC)CCOC1CCOC1
InChIInChI=1S/C15H28O2/c1-3-5-6-8-14(7-4-2)9-12-17-15-10-11-16-13-15/h3,5,14-15H,4,6-13H2,1-2H3/b5-3+
InChIKeyDXSKELSROHEHBK-HWKANZROSA-N
MW240.39 g/mol
LogP3.95
Rot. Bonds9

About 3-[(E)-3-propyloct-6-enoxy]oxolane

3-[(E)-3-propyloct-6-enoxy]oxolane (PubChem CID 142475445) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is 3-[(E)-3-propyloct-6-enoxy]oxolane.

Molecular Properties

Compound Name3-[(E)-3-propyloct-6-enoxy]oxolane
PubChem CID142475445
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name3-[(E)-3-propyloct-6-enoxy]oxolane
SMILESC/C=C/CCC(CCC)CCOC1CCOC1
InChIInChI=1S/C15H28O2/c1-3-5-6-8-14(7-4-2)9-12-17-15-10-11-16-13-15/h3,5,14-15H,4,6-13H2,1-2H3/b5-3+
InChIKeyDXSKELSROHEHBK-HWKANZROSA-N
XLogP3.95
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-3-propyloct-6-enoxy]oxolane?
The IUPAC name of 3-[(E)-3-propyloct-6-enoxy]oxolane (CID 142475445) is 3-[(E)-3-propyloct-6-enoxy]oxolane.
What is the SMILES notation for 3-[(E)-3-propyloct-6-enoxy]oxolane?
The canonical SMILES for 3-[(E)-3-propyloct-6-enoxy]oxolane is C/C=C/CCC(CCC)CCOC1CCOC1.
What is the InChIKey of 3-[(E)-3-propyloct-6-enoxy]oxolane?
The InChIKey is DXSKELSROHEHBK-HWKANZROSA-N. The full InChI is InChI=1S/C15H28O2/c1-3-5-6-8-14(7-4-2)9-12-17-15-10-11-16-13-15/h3,5,14-15H,4,6-13H2,1-2H3/b5-3+.
What are the key properties of 3-[(E)-3-propyloct-6-enoxy]oxolane?
3-[(E)-3-propyloct-6-enoxy]oxolane has a molecular weight of 240.39 g/mol, XLogP of 3.95, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-3-propyloct-6-enoxy]oxolane is sourced from PubChem (CID 142475445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).