2-[(1E,7E)-nona-1,7-dien-3,5-diynyl]furan

C13H10O — CID 5321047

IUPAC2-[(1E,7E)-nona-1,7-dien-3,5-diynyl]furan
SMILESC/C=C/C#CC#C/C=C/c1ccco1
InChIInChI=1S/C13H10O/c1-2-3-4-5-6-7-8-10-13-11-9-12-14-13/h2-3,8-12H,1H3/b3-2+,10-8+
InChIKeyGRBKWAXRYIITKG-QFMFQGICSA-N
MW182.22 g/mol
LogP2.88
Rot. Bonds1

About 2-[(1E,7E)-nona-1,7-dien-3,5-diynyl]furan

2-[(1E,7E)-nona-1,7-dien-3,5-diynyl]furan (PubChem CID 5321047) has the molecular formula C13H10O and a molecular weight of 182.22 g/mol. Its IUPAC name is 2-[(1E,7E)-nona-1,7-dien-3,5-diynyl]furan.

Molecular Properties

Compound Name2-[(1E,7E)-nona-1,7-dien-3,5-diynyl]furan
PubChem CID5321047
Molecular FormulaC13H10O
Molecular Weight182.22 g/mol
Exact Mass182.07
IUPAC Name2-[(1E,7E)-nona-1,7-dien-3,5-diynyl]furan
SMILESC/C=C/C#CC#C/C=C/c1ccco1
InChIInChI=1S/C13H10O/c1-2-3-4-5-6-7-8-10-13-11-9-12-14-13/h2-3,8-12H,1H3/b3-2+,10-8+
InChIKeyGRBKWAXRYIITKG-QFMFQGICSA-N
XLogP2.88
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-[(1E,7E)-nona-1,7-dien-3,5-diynyl]furan with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
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
2-Butylfuran
CID 20534

Frequently Asked Questions

What is the IUPAC name of 2-[(1E,7E)-nona-1,7-dien-3,5-diynyl]furan?
The IUPAC name of 2-[(1E,7E)-nona-1,7-dien-3,5-diynyl]furan (CID 5321047) is 2-[(1E,7E)-nona-1,7-dien-3,5-diynyl]furan.
What is the SMILES notation for 2-[(1E,7E)-nona-1,7-dien-3,5-diynyl]furan?
The canonical SMILES for 2-[(1E,7E)-nona-1,7-dien-3,5-diynyl]furan is C/C=C/C#CC#C/C=C/c1ccco1.
What is the InChIKey of 2-[(1E,7E)-nona-1,7-dien-3,5-diynyl]furan?
The InChIKey is GRBKWAXRYIITKG-QFMFQGICSA-N. The full InChI is InChI=1S/C13H10O/c1-2-3-4-5-6-7-8-10-13-11-9-12-14-13/h2-3,8-12H,1H3/b3-2+,10-8+.
What are the key properties of 2-[(1E,7E)-nona-1,7-dien-3,5-diynyl]furan?
2-[(1E,7E)-nona-1,7-dien-3,5-diynyl]furan has a molecular weight of 182.22 g/mol, XLogP of 2.88, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1E,7E)-nona-1,7-dien-3,5-diynyl]furan is sourced from PubChem (CID 5321047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).