3-[(3E,6E,10E)-4,7,11,15-tetramethylhexadeca-3,6,10,14-tetraenyl]-2H-furan-5-one

C24H36O2 — CID 164612648

IUPAC3-[(3E,6E,10E)-4,7,11,15-tetramethylhexadeca-3,6,10,14-tetraenyl]-2H-furan-5-one
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/C/C(C)=C/CCC1=CC(=O)OC1
InChIInChI=1S/C24H36O2/c1-19(2)9-6-10-20(3)11-7-12-21(4)15-16-22(5)13-8-14-23-17-24(25)26-18-23/h9,11,13,15,17H,6-8,10,12,14,16,18H2,1-5H3/b20-11+,21-15+,22-13+
InChIKeyXMTOQSPPSPEWHC-WGOVEGMISA-N
MW356.55 g/mol
LogP7.01
Rot. Bonds11

About 3-[(3E,6E,10E)-4,7,11,15-tetramethylhexadeca-3,6,10,14-tetraenyl]-2H-furan-5-one

3-[(3E,6E,10E)-4,7,11,15-tetramethylhexadeca-3,6,10,14-tetraenyl]-2H-furan-5-one (PubChem CID 164612648) has the molecular formula C24H36O2 and a molecular weight of 356.55 g/mol. Its IUPAC name is 3-[(3E,6E,10E)-4,7,11,15-tetramethylhexadeca-3,6,10,14-tetraenyl]-2H-furan-5-one.

Molecular Properties

Compound Name3-[(3E,6E,10E)-4,7,11,15-tetramethylhexadeca-3,6,10,14-tetraenyl]-2H-furan-5-one
PubChem CID164612648
Molecular FormulaC24H36O2
Molecular Weight356.55 g/mol
Exact Mass356.27
IUPAC Name3-[(3E,6E,10E)-4,7,11,15-tetramethylhexadeca-3,6,10,14-tetraenyl]-2H-furan-5-one
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/C/C(C)=C/CCC1=CC(=O)OC1
InChIInChI=1S/C24H36O2/c1-19(2)9-6-10-20(3)11-7-12-21(4)15-16-22(5)13-8-14-23-17-24(25)26-18-23/h9,11,13,15,17H,6-8,10,12,14,16,18H2,1-5H3/b20-11+,21-15+,22-13+
InChIKeyXMTOQSPPSPEWHC-WGOVEGMISA-N
XLogP7.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.55
LogP ≤ 57.01
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,6E,10E)-4,7,11,15-tetramethylhexadeca-3,6,10,14-tetraenyl]-2H-furan-5-one?
The IUPAC name of 3-[(3E,6E,10E)-4,7,11,15-tetramethylhexadeca-3,6,10,14-tetraenyl]-2H-furan-5-one (CID 164612648) is 3-[(3E,6E,10E)-4,7,11,15-tetramethylhexadeca-3,6,10,14-tetraenyl]-2H-furan-5-one.
What is the SMILES notation for 3-[(3E,6E,10E)-4,7,11,15-tetramethylhexadeca-3,6,10,14-tetraenyl]-2H-furan-5-one?
The canonical SMILES for 3-[(3E,6E,10E)-4,7,11,15-tetramethylhexadeca-3,6,10,14-tetraenyl]-2H-furan-5-one is CC(C)=CCC/C(C)=C/CC/C(C)=C/C/C(C)=C/CCC1=CC(=O)OC1.
What is the InChIKey of 3-[(3E,6E,10E)-4,7,11,15-tetramethylhexadeca-3,6,10,14-tetraenyl]-2H-furan-5-one?
The InChIKey is XMTOQSPPSPEWHC-WGOVEGMISA-N. The full InChI is InChI=1S/C24H36O2/c1-19(2)9-6-10-20(3)11-7-12-21(4)15-16-22(5)13-8-14-23-17-24(25)26-18-23/h9,11,13,15,17H,6-8,10,12,14,16,18H2,1-5H3/b20-11+,21-15+,22-13+.
What are the key properties of 3-[(3E,6E,10E)-4,7,11,15-tetramethylhexadeca-3,6,10,14-tetraenyl]-2H-furan-5-one?
3-[(3E,6E,10E)-4,7,11,15-tetramethylhexadeca-3,6,10,14-tetraenyl]-2H-furan-5-one has a molecular weight of 356.55 g/mol, XLogP of 7.01, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3E,6E,10E)-4,7,11,15-tetramethylhexadeca-3,6,10,14-tetraenyl]-2H-furan-5-one is sourced from PubChem (CID 164612648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).