2-[(3E)-4,8-dimethylnona-1,3,7-trienyl]furan

C15H20O — CID 162340732

IUPAC2-[(3E)-4,8-dimethylnona-1,3,7-trienyl]furan
SMILESCC(C)=CCC/C(C)=C/C=Cc1ccco1
InChIInChI=1S/C15H20O/c1-13(2)7-4-8-14(3)9-5-10-15-11-6-12-16-15/h5-7,9-12H,4,8H2,1-3H3/b10-5?,14-9+
InChIKeyZZGNTZOPAFVKRN-WTDKSBBXSA-N
MW216.32 g/mol
LogP4.99
Rot. Bonds5

About 2-[(3E)-4,8-dimethylnona-1,3,7-trienyl]furan

2-[(3E)-4,8-dimethylnona-1,3,7-trienyl]furan (PubChem CID 162340732) has the molecular formula C15H20O and a molecular weight of 216.32 g/mol. Its IUPAC name is 2-[(3E)-4,8-dimethylnona-1,3,7-trienyl]furan.

Molecular Properties

Compound Name2-[(3E)-4,8-dimethylnona-1,3,7-trienyl]furan
PubChem CID162340732
Molecular FormulaC15H20O
Molecular Weight216.32 g/mol
Exact Mass216.15
IUPAC Name2-[(3E)-4,8-dimethylnona-1,3,7-trienyl]furan
SMILESCC(C)=CCC/C(C)=C/C=Cc1ccco1
InChIInChI=1S/C15H20O/c1-13(2)7-4-8-14(3)9-5-10-15-11-6-12-16-15/h5-7,9-12H,4,8H2,1-3H3/b10-5?,14-9+
InChIKeyZZGNTZOPAFVKRN-WTDKSBBXSA-N
XLogP4.99
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 ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]furan
CID 170313495
1-(furan-2-yl)-5,9,13-trimethyltetradeca-4,8,12-trien-1-one
CID 69178504
1-methyl-4-[(E)-2-[4-[(E)-2-[4-[(1E,3E,7E)-4,8,12-trimethyltrideca-1,3,7,11-tetraenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 176697380
S-(furan-2-ylmethyl) (2E)-3,7-dimethylocta-2,6-dienethioate
CID 11807557
2-nona-1,3,5,7-tetraenylfuran
CID 173428871
(6E,8E,10Z,12E,14Z,16E,18Z,20E,22Z,24E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaene
CID 21145326
4-(furan-2-yl)but-3-ene-2-thione
CID 170923429
2-(3-chloroprop-1-enyl)furan
CID 54215427
2-[(1Z,3Z)-4,8-dimethylnona-1,3,7-trienyl]-2,5,5-trimethyl-1,3-dioxane
CID 90239000
3,7-dimethylocta-2,6-dienal
CID 8843
triphenyl-[(2E,4E,6E,8E,10E)-3,7,11,15-tetramethylhexadeca-2,4,6,8,10,14-hexaenyl]phosphanium
CID 71533857
(3Z,5E)-1,1,1-trifluoro-2,6,10-trimethylundeca-3,5,9-trien-2-ol
CID 177425509

Frequently Asked Questions

What is the IUPAC name of 2-[(3E)-4,8-dimethylnona-1,3,7-trienyl]furan?
The IUPAC name of 2-[(3E)-4,8-dimethylnona-1,3,7-trienyl]furan (CID 162340732) is 2-[(3E)-4,8-dimethylnona-1,3,7-trienyl]furan.
What is the SMILES notation for 2-[(3E)-4,8-dimethylnona-1,3,7-trienyl]furan?
The canonical SMILES for 2-[(3E)-4,8-dimethylnona-1,3,7-trienyl]furan is CC(C)=CCC/C(C)=C/C=Cc1ccco1.
What is the InChIKey of 2-[(3E)-4,8-dimethylnona-1,3,7-trienyl]furan?
The InChIKey is ZZGNTZOPAFVKRN-WTDKSBBXSA-N. The full InChI is InChI=1S/C15H20O/c1-13(2)7-4-8-14(3)9-5-10-15-11-6-12-16-15/h5-7,9-12H,4,8H2,1-3H3/b10-5?,14-9+.
What are the key properties of 2-[(3E)-4,8-dimethylnona-1,3,7-trienyl]furan?
2-[(3E)-4,8-dimethylnona-1,3,7-trienyl]furan has a molecular weight of 216.32 g/mol, XLogP of 4.99, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3E)-4,8-dimethylnona-1,3,7-trienyl]furan is sourced from PubChem (CID 162340732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).