[(2E,6E)-3,7-dimethyl-8-(4-methyl-5-oxo-2H-furan-2-yl)octa-2,6-dienyl] acetate

C17H24O4 — CID 14706849

IUPAC[(2E,6E)-3,7-dimethyl-8-(4-methyl-5-oxo-2H-furan-2-yl)octa-2,6-dienyl] acetate
SMILESCC(=O)OC/C=C(\C)CC/C=C(\C)CC1C=C(C)C(=O)O1
InChIInChI=1S/C17H24O4/c1-12(8-9-20-15(4)18)6-5-7-13(2)10-16-11-14(3)17(19)21-16/h7-8,11,16H,5-6,9-10H2,1-4H3/b12-8+,13-7+
InChIKeyRWEGFTQUMKMZJU-SWZPTJTJSA-N
MW292.38 g/mol
LogP3.48
Rot. Bonds7

About [(2E,6E)-3,7-dimethyl-8-(4-methyl-5-oxo-2H-furan-2-yl)octa-2,6-dienyl] acetate

[(2E,6E)-3,7-dimethyl-8-(4-methyl-5-oxo-2H-furan-2-yl)octa-2,6-dienyl] acetate (PubChem CID 14706849) has the molecular formula C17H24O4 and a molecular weight of 292.38 g/mol. Its IUPAC name is [(2E,6E)-3,7-dimethyl-8-(4-methyl-5-oxo-2H-furan-2-yl)octa-2,6-dienyl] acetate.

Molecular Properties

Compound Name[(2E,6E)-3,7-dimethyl-8-(4-methyl-5-oxo-2H-furan-2-yl)octa-2,6-dienyl] acetate
PubChem CID14706849
Molecular FormulaC17H24O4
Molecular Weight292.38 g/mol
Exact Mass292.17
IUPAC Name[(2E,6E)-3,7-dimethyl-8-(4-methyl-5-oxo-2H-furan-2-yl)octa-2,6-dienyl] acetate
SMILESCC(=O)OC/C=C(\C)CC/C=C(\C)CC1C=C(C)C(=O)O1
InChIInChI=1S/C17H24O4/c1-12(8-9-20-15(4)18)6-5-7-13(2)10-16-11-14(3)17(19)21-16/h7-8,11,16H,5-6,9-10H2,1-4H3/b12-8+,13-7+
InChIKeyRWEGFTQUMKMZJU-SWZPTJTJSA-N
XLogP3.48
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [(2E,6E)-3,7-dimethyl-8-(4-methyl-5-oxo-2H-furan-2-yl)octa-2,6-dienyl] acetate 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

Geranyl tiglate
CID 5367785
Tuberatolide A
CID 50993673
Yezoquinolide
CID 51003543
16-Oxosarcoglaucol Acetate
CID 11384096
(S,E)-3-(Dodeca-1,11-dien-1-yl)-5-methylfuran-2(5H)-one
CID 10879902
(3E,5S)-3-[(E)-4-methyl-7-(5-oxo-2H-furan-3-yl)hept-4-enylidene]-5-(2-methylprop-1-enyl)tetrahydrofuran-2-one
CID 44179724
Geranyl Angelate
CID 38988903
2-Butenoic acid, 2-methyl-, 3,7-dimethyl-2,6-octadienyl ester, (E,Z)-
CID 20836217
[(1R,2Z,6E,10E)-3-formyl-7,11-dimethylcyclododeca-2,6,10-trien-1-yl] acetate
CID 71665738
Chabrolobenzoquinone F
CID 5326353
Akolactone A
CID 10085746
3-[(3E,7E,11E)-4,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl]-2H-furan-5-one
CID 10090584

Frequently Asked Questions

What is the IUPAC name of [(2E,6E)-3,7-dimethyl-8-(4-methyl-5-oxo-2H-furan-2-yl)octa-2,6-dienyl] acetate?
The IUPAC name of [(2E,6E)-3,7-dimethyl-8-(4-methyl-5-oxo-2H-furan-2-yl)octa-2,6-dienyl] acetate (CID 14706849) is [(2E,6E)-3,7-dimethyl-8-(4-methyl-5-oxo-2H-furan-2-yl)octa-2,6-dienyl] acetate.
What is the SMILES notation for [(2E,6E)-3,7-dimethyl-8-(4-methyl-5-oxo-2H-furan-2-yl)octa-2,6-dienyl] acetate?
The canonical SMILES for [(2E,6E)-3,7-dimethyl-8-(4-methyl-5-oxo-2H-furan-2-yl)octa-2,6-dienyl] acetate is CC(=O)OC/C=C(\C)CC/C=C(\C)CC1C=C(C)C(=O)O1.
What is the InChIKey of [(2E,6E)-3,7-dimethyl-8-(4-methyl-5-oxo-2H-furan-2-yl)octa-2,6-dienyl] acetate?
The InChIKey is RWEGFTQUMKMZJU-SWZPTJTJSA-N. The full InChI is InChI=1S/C17H24O4/c1-12(8-9-20-15(4)18)6-5-7-13(2)10-16-11-14(3)17(19)21-16/h7-8,11,16H,5-6,9-10H2,1-4H3/b12-8+,13-7+.
What are the key properties of [(2E,6E)-3,7-dimethyl-8-(4-methyl-5-oxo-2H-furan-2-yl)octa-2,6-dienyl] acetate?
[(2E,6E)-3,7-dimethyl-8-(4-methyl-5-oxo-2H-furan-2-yl)octa-2,6-dienyl] acetate has a molecular weight of 292.38 g/mol, XLogP of 3.48, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E,6E)-3,7-dimethyl-8-(4-methyl-5-oxo-2H-furan-2-yl)octa-2,6-dienyl] acetate is sourced from PubChem (CID 14706849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).