2-nona-1,3,5,7-tetraenylfuran

C13H14O — CID 173428871

IUPAC2-nona-1,3,5,7-tetraenylfuran
SMILESCC=CC=CC=CC=Cc1ccco1
InChIInChI=1S/C13H14O/c1-2-3-4-5-6-7-8-10-13-11-9-12-14-13/h2-12H,1H3
InChIKeyUCCZBMZRDWJCFH-UHFFFAOYSA-N
MW186.25 g/mol
LogP3.98
Rot. Bonds4

About 2-nona-1,3,5,7-tetraenylfuran

2-nona-1,3,5,7-tetraenylfuran (PubChem CID 173428871) has the molecular formula C13H14O and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-nona-1,3,5,7-tetraenylfuran.

Molecular Properties

Compound Name2-nona-1,3,5,7-tetraenylfuran
PubChem CID173428871
Molecular FormulaC13H14O
Molecular Weight186.25 g/mol
Exact Mass186.10
IUPAC Name2-nona-1,3,5,7-tetraenylfuran
SMILESCC=CC=CC=CC=Cc1ccco1
InChIInChI=1S/C13H14O/c1-2-3-4-5-6-7-8-10-13-11-9-12-14-13/h2-12H,1H3
InChIKeyUCCZBMZRDWJCFH-UHFFFAOYSA-N
XLogP3.98
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Furfural
CID 7362
2,5-Dimethylfuran
CID 12266
2-Methylfuran
CID 10797
2-Pentylfuran
CID 19602
Methyl 2-methyl-3-furyl disulfide
CID 47649
Methyl 2-furoate
CID 11902
5-Methylfurfural
CID 12097
2-Furanmethanethiol
CID 7363
Furfural acetate
CID 12170
2-Acetylfuran
CID 14505
2-Ethylfuran
CID 18554
2-Methyl-3-furanthiol
CID 34286

Frequently Asked Questions

What is the IUPAC name of 2-nona-1,3,5,7-tetraenylfuran?
The IUPAC name of 2-nona-1,3,5,7-tetraenylfuran (CID 173428871) is 2-nona-1,3,5,7-tetraenylfuran.
What is the SMILES notation for 2-nona-1,3,5,7-tetraenylfuran?
The canonical SMILES for 2-nona-1,3,5,7-tetraenylfuran is CC=CC=CC=CC=Cc1ccco1.
What is the InChIKey of 2-nona-1,3,5,7-tetraenylfuran?
The InChIKey is UCCZBMZRDWJCFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O/c1-2-3-4-5-6-7-8-10-13-11-9-12-14-13/h2-12H,1H3.
What are the key properties of 2-nona-1,3,5,7-tetraenylfuran?
2-nona-1,3,5,7-tetraenylfuran has a molecular weight of 186.25 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nona-1,3,5,7-tetraenylfuran is sourced from PubChem (CID 173428871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).