3-[(3E)-4,8-dimethylnona-3,7-dienyl]-2H-furan-5-one

C15H22O2 — CID 90474105

IUPAC3-[(3E)-4,8-dimethylnona-3,7-dienyl]-2H-furan-5-one
SMILESCC(C)=CCC/C(C)=C/CCC1=CC(=O)OC1
InChIInChI=1S/C15H22O2/c1-12(2)6-4-7-13(3)8-5-9-14-10-15(16)17-11-14/h6,8,10H,4-5,7,9,11H2,1-3H3/b13-8+
InChIKeyFNHHDLJGCKAXKZ-MDWZMJQESA-N
MW234.34 g/mol
LogP3.94
Rot. Bonds6

About 3-[(3E)-4,8-dimethylnona-3,7-dienyl]-2H-furan-5-one

3-[(3E)-4,8-dimethylnona-3,7-dienyl]-2H-furan-5-one (PubChem CID 90474105) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 3-[(3E)-4,8-dimethylnona-3,7-dienyl]-2H-furan-5-one.

Molecular Properties

Compound Name3-[(3E)-4,8-dimethylnona-3,7-dienyl]-2H-furan-5-one
PubChem CID90474105
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name3-[(3E)-4,8-dimethylnona-3,7-dienyl]-2H-furan-5-one
SMILESCC(C)=CCC/C(C)=C/CCC1=CC(=O)OC1
InChIInChI=1S/C15H22O2/c1-12(2)6-4-7-13(3)8-5-9-14-10-15(16)17-11-14/h6,8,10H,4-5,7,9,11H2,1-3H3/b13-8+
InChIKeyFNHHDLJGCKAXKZ-MDWZMJQESA-N
XLogP3.94
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(3E)-4,8-dimethylnona-3,7-dienyl]-2H-furan-5-one?
The IUPAC name of 3-[(3E)-4,8-dimethylnona-3,7-dienyl]-2H-furan-5-one (CID 90474105) is 3-[(3E)-4,8-dimethylnona-3,7-dienyl]-2H-furan-5-one.
What is the SMILES notation for 3-[(3E)-4,8-dimethylnona-3,7-dienyl]-2H-furan-5-one?
The canonical SMILES for 3-[(3E)-4,8-dimethylnona-3,7-dienyl]-2H-furan-5-one is CC(C)=CCC/C(C)=C/CCC1=CC(=O)OC1.
What is the InChIKey of 3-[(3E)-4,8-dimethylnona-3,7-dienyl]-2H-furan-5-one?
The InChIKey is FNHHDLJGCKAXKZ-MDWZMJQESA-N. The full InChI is InChI=1S/C15H22O2/c1-12(2)6-4-7-13(3)8-5-9-14-10-15(16)17-11-14/h6,8,10H,4-5,7,9,11H2,1-3H3/b13-8+.
What are the key properties of 3-[(3E)-4,8-dimethylnona-3,7-dienyl]-2H-furan-5-one?
3-[(3E)-4,8-dimethylnona-3,7-dienyl]-2H-furan-5-one has a molecular weight of 234.34 g/mol, XLogP of 3.94, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3E)-4,8-dimethylnona-3,7-dienyl]-2H-furan-5-one is sourced from PubChem (CID 90474105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).