3-[(4Z)-4,8-dimethyl-6-oxonona-4,7-dienyl]-2H-furan-5-one

C15H20O3 — CID 163184532

IUPAC3-[(4Z)-4,8-dimethyl-6-oxonona-4,7-dienyl]-2H-furan-5-one
SMILESCC(C)=CC(=O)/C=C(/C)CCCC1=CC(=O)OC1
InChIInChI=1S/C15H20O3/c1-11(2)7-14(16)8-12(3)5-4-6-13-9-15(17)18-10-13/h7-9H,4-6,10H2,1-3H3/b12-8-
InChIKeySZHJDXKBXJJFHM-WQLSENKSSA-N
MW248.32 g/mol
LogP3.12
Rot. Bonds6

About 3-[(4Z)-4,8-dimethyl-6-oxonona-4,7-dienyl]-2H-furan-5-one

3-[(4Z)-4,8-dimethyl-6-oxonona-4,7-dienyl]-2H-furan-5-one (PubChem CID 163184532) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is 3-[(4Z)-4,8-dimethyl-6-oxonona-4,7-dienyl]-2H-furan-5-one.

Molecular Properties

Compound Name3-[(4Z)-4,8-dimethyl-6-oxonona-4,7-dienyl]-2H-furan-5-one
PubChem CID163184532
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name3-[(4Z)-4,8-dimethyl-6-oxonona-4,7-dienyl]-2H-furan-5-one
SMILESCC(C)=CC(=O)/C=C(/C)CCCC1=CC(=O)OC1
InChIInChI=1S/C15H20O3/c1-11(2)7-14(16)8-12(3)5-4-6-13-9-15(17)18-10-13/h7-9H,4-6,10H2,1-3H3/b12-8-
InChIKeySZHJDXKBXJJFHM-WQLSENKSSA-N
XLogP3.12
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-[(4Z)-4,8-dimethyl-6-oxonona-4,7-dienyl]-2H-furan-5-one with MolForge

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Related Compounds

2-Nonenoic acid gamma-lactone
CID 89559
5-hexylfuran-2(5H)-one
CID 102833
Alpha,beta-acariolide
CID 11041080
5-Octyl-2(5H)-furanone
CID 86623
(5E,9E,11aS)-3,6,10-Trimethyl-7,8,11,11a-tetrahydrocyclodeca[b]furan-2(4H)-one
CID 44593362
2-Cyclohexen-1-ol, 3-methyl-, acetate
CID 3018590
(+)-sarcophytoxin B
CID 14705435
3-[(3E,7E,11E)-4,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl]-2H-furan-5-one
CID 10090584
Dihydrobovolide, (+-)-
CID 13192443
4-methyl-2-tridecyl-2H-furan-5-one
CID 118708713
Pestalolide
CID 57342266
[(6Z,10E,11aR)-3,10-dimethyl-2-oxo-5,8,9,11a-tetrahydro-4H-cyclodeca[b]furan-6-yl]methyl (Z)-2-methylbut-2-enoate
CID 163000326

Frequently Asked Questions

What is the IUPAC name of 3-[(4Z)-4,8-dimethyl-6-oxonona-4,7-dienyl]-2H-furan-5-one?
The IUPAC name of 3-[(4Z)-4,8-dimethyl-6-oxonona-4,7-dienyl]-2H-furan-5-one (CID 163184532) is 3-[(4Z)-4,8-dimethyl-6-oxonona-4,7-dienyl]-2H-furan-5-one.
What is the SMILES notation for 3-[(4Z)-4,8-dimethyl-6-oxonona-4,7-dienyl]-2H-furan-5-one?
The canonical SMILES for 3-[(4Z)-4,8-dimethyl-6-oxonona-4,7-dienyl]-2H-furan-5-one is CC(C)=CC(=O)/C=C(/C)CCCC1=CC(=O)OC1.
What is the InChIKey of 3-[(4Z)-4,8-dimethyl-6-oxonona-4,7-dienyl]-2H-furan-5-one?
The InChIKey is SZHJDXKBXJJFHM-WQLSENKSSA-N. The full InChI is InChI=1S/C15H20O3/c1-11(2)7-14(16)8-12(3)5-4-6-13-9-15(17)18-10-13/h7-9H,4-6,10H2,1-3H3/b12-8-.
What are the key properties of 3-[(4Z)-4,8-dimethyl-6-oxonona-4,7-dienyl]-2H-furan-5-one?
3-[(4Z)-4,8-dimethyl-6-oxonona-4,7-dienyl]-2H-furan-5-one has a molecular weight of 248.32 g/mol, XLogP of 3.12, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4Z)-4,8-dimethyl-6-oxonona-4,7-dienyl]-2H-furan-5-one is sourced from PubChem (CID 163184532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).