2-[(2E,4E)-hepta-2,4,6-trienyl]oxolane

C11H16O — CID 89047232

IUPAC2-[(2E,4E)-hepta-2,4,6-trienyl]oxolane
SMILESC=C/C=C/C=C/CC1CCCO1
InChIInChI=1S/C11H16O/c1-2-3-4-5-6-8-11-9-7-10-12-11/h2-6,11H,1,7-10H2/b4-3+,6-5+
InChIKeyGFLUOASYPYJHRI-VNKDHWASSA-N
MW164.25 g/mol
LogP2.85
Rot. Bonds4

About 2-[(2E,4E)-hepta-2,4,6-trienyl]oxolane

2-[(2E,4E)-hepta-2,4,6-trienyl]oxolane (PubChem CID 89047232) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is 2-[(2E,4E)-hepta-2,4,6-trienyl]oxolane.

Molecular Properties

Compound Name2-[(2E,4E)-hepta-2,4,6-trienyl]oxolane
PubChem CID89047232
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name2-[(2E,4E)-hepta-2,4,6-trienyl]oxolane
SMILESC=C/C=C/C=C/CC1CCCO1
InChIInChI=1S/C11H16O/c1-2-3-4-5-6-8-11-9-7-10-12-11/h2-6,11H,1,7-10H2/b4-3+,6-5+
InChIKeyGFLUOASYPYJHRI-VNKDHWASSA-N
XLogP2.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2E,4E)-hepta-2,4,6-trienyl]oxolane?
The IUPAC name of 2-[(2E,4E)-hepta-2,4,6-trienyl]oxolane (CID 89047232) is 2-[(2E,4E)-hepta-2,4,6-trienyl]oxolane.
What is the SMILES notation for 2-[(2E,4E)-hepta-2,4,6-trienyl]oxolane?
The canonical SMILES for 2-[(2E,4E)-hepta-2,4,6-trienyl]oxolane is C=C/C=C/C=C/CC1CCCO1.
What is the InChIKey of 2-[(2E,4E)-hepta-2,4,6-trienyl]oxolane?
The InChIKey is GFLUOASYPYJHRI-VNKDHWASSA-N. The full InChI is InChI=1S/C11H16O/c1-2-3-4-5-6-8-11-9-7-10-12-11/h2-6,11H,1,7-10H2/b4-3+,6-5+.
What are the key properties of 2-[(2E,4E)-hepta-2,4,6-trienyl]oxolane?
2-[(2E,4E)-hepta-2,4,6-trienyl]oxolane has a molecular weight of 164.25 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E,4E)-hepta-2,4,6-trienyl]oxolane is sourced from PubChem (CID 89047232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).