3-[(2E,4E,6E)-4,8-dimethylnona-2,4,6-trienyl]furan

C15H20O — CID 10910959

IUPAC3-[(2E,4E,6E)-4,8-dimethylnona-2,4,6-trienyl]furan
SMILESCC(/C=C/Cc1ccoc1)=C\C=C\C(C)C
InChIInChI=1S/C15H20O/c1-13(2)6-4-7-14(3)8-5-9-15-10-11-16-12-15/h4-8,10-13H,9H2,1-3H3/b6-4+,8-5+,14-7+
InChIKeyROCIWIQPHIBTOC-JHSNUBCISA-N
MW216.32 g/mol
LogP4.54
Rot. Bonds5

About 3-[(2E,4E,6E)-4,8-dimethylnona-2,4,6-trienyl]furan

3-[(2E,4E,6E)-4,8-dimethylnona-2,4,6-trienyl]furan (PubChem CID 10910959) has the molecular formula C15H20O and a molecular weight of 216.32 g/mol. Its IUPAC name is 3-[(2E,4E,6E)-4,8-dimethylnona-2,4,6-trienyl]furan.

Molecular Properties

Compound Name3-[(2E,4E,6E)-4,8-dimethylnona-2,4,6-trienyl]furan
PubChem CID10910959
Molecular FormulaC15H20O
Molecular Weight216.32 g/mol
Exact Mass216.15
IUPAC Name3-[(2E,4E,6E)-4,8-dimethylnona-2,4,6-trienyl]furan
SMILESCC(/C=C/Cc1ccoc1)=C\C=C\C(C)C
InChIInChI=1S/C15H20O/c1-13(2)6-4-7-14(3)8-5-9-15-10-11-16-12-15/h4-8,10-13H,9H2,1-3H3/b6-4+,8-5+,14-7+
InChIKeyROCIWIQPHIBTOC-JHSNUBCISA-N
XLogP4.54
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 54.54
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 3-[(2E,4E,6E)-4,8-dimethylnona-2,4,6-trienyl]furan?
The IUPAC name of 3-[(2E,4E,6E)-4,8-dimethylnona-2,4,6-trienyl]furan (CID 10910959) is 3-[(2E,4E,6E)-4,8-dimethylnona-2,4,6-trienyl]furan.
What is the SMILES notation for 3-[(2E,4E,6E)-4,8-dimethylnona-2,4,6-trienyl]furan?
The canonical SMILES for 3-[(2E,4E,6E)-4,8-dimethylnona-2,4,6-trienyl]furan is CC(/C=C/Cc1ccoc1)=C\C=C\C(C)C.
What is the InChIKey of 3-[(2E,4E,6E)-4,8-dimethylnona-2,4,6-trienyl]furan?
The InChIKey is ROCIWIQPHIBTOC-JHSNUBCISA-N. The full InChI is InChI=1S/C15H20O/c1-13(2)6-4-7-14(3)8-5-9-15-10-11-16-12-15/h4-8,10-13H,9H2,1-3H3/b6-4+,8-5+,14-7+.
What are the key properties of 3-[(2E,4E,6E)-4,8-dimethylnona-2,4,6-trienyl]furan?
3-[(2E,4E,6E)-4,8-dimethylnona-2,4,6-trienyl]furan has a molecular weight of 216.32 g/mol, XLogP of 4.54, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2E,4E,6E)-4,8-dimethylnona-2,4,6-trienyl]furan is sourced from PubChem (CID 10910959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).