2-[(3E)-4,8-dimethylnona-3,7-dienyl]anthracene-9,10-dione

C25H26O2 — CID 155816692

IUPAC2-[(3E)-4,8-dimethylnona-3,7-dienyl]anthracene-9,10-dione
SMILESCC(C)=CCC/C(C)=C/CCc1ccc2c(c1)C(=O)c1ccccc1C2=O
InChIInChI=1S/C25H26O2/c1-17(2)8-6-9-18(3)10-7-11-19-14-15-22-23(16-19)25(27)21-13-5-4-12-20(21)24(22)26/h4-5,8,10,12-16H,6-7,9,11H2,1-3H3/b18-10+
InChIKeyYGNPHNOMVBPITA-VCHYOVAHSA-N
MW358.48 g/mol
LogP6.09
Rot. Bonds6

About 2-[(3E)-4,8-dimethylnona-3,7-dienyl]anthracene-9,10-dione

2-[(3E)-4,8-dimethylnona-3,7-dienyl]anthracene-9,10-dione (PubChem CID 155816692) has the molecular formula C25H26O2 and a molecular weight of 358.48 g/mol. Its IUPAC name is 2-[(3E)-4,8-dimethylnona-3,7-dienyl]anthracene-9,10-dione.

Molecular Properties

Compound Name2-[(3E)-4,8-dimethylnona-3,7-dienyl]anthracene-9,10-dione
PubChem CID155816692
Molecular FormulaC25H26O2
Molecular Weight358.48 g/mol
Exact Mass358.19
IUPAC Name2-[(3E)-4,8-dimethylnona-3,7-dienyl]anthracene-9,10-dione
SMILESCC(C)=CCC/C(C)=C/CCc1ccc2c(c1)C(=O)c1ccccc1C2=O
InChIInChI=1S/C25H26O2/c1-17(2)8-6-9-18(3)10-7-11-19-14-15-22-23(16-19)25(27)21-13-5-4-12-20(21)24(22)26/h4-5,8,10,12-16H,6-7,9,11H2,1-3H3/b18-10+
InChIKeyYGNPHNOMVBPITA-VCHYOVAHSA-N
XLogP6.09
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.48
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2,6-bis[(3E)-4,8-dimethylnona-3,7-dienyl]anthracene-9,10-dione
CID 71042452
2-[(3E)-4,8-dimethylnona-3,7-dienyl]-7-(4-methylpentyl)anthracene-9,10-dione
CID 118545562
2-[(3E)-4,8-dimethylnona-3,7-dienyl]-6-[(E)-4,8-dimethylnon-3-enyl]anthracene-9,10-dione
CID 118545521
2-[(3E)-4,8-dimethylnona-3,7-dienyl]-7-(4,8-dimethylnonyl)anthracene-9,10-dione
CID 118545651
2,3-bis[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]naphthalene-1,4-dione
CID 53363554
2,3-bis[(2E)-3,7-dimethylocta-2,6-dienyl]naphthalene-1,4-dione
CID 53361119
1-methyl-3-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]benzene
CID 15545601
2,6-bis[(3E)-4,8-dimethylnona-3,7-dienyl]-4a,9a-dihydroanthracene-9,10-dione;2,7-bis[(3E)-4,8-dimethylnona-3,7-dienyl]-4a,9a-dihydroanthracene-9,10-dione
CID 141478168
2-methyl-3-(3,7,11,15,19,23,27,31,35,39,43,47,51-tridecamethyldopentaconta-2,6,10,14,18,22,26,30,34,38,42,46,50-tridecaenyl)naphthalene-1,4-dione
CID 25201329
2-methyl-3-[(2E,6E,10E,14E,18E,22E,26E,30E,34E,38E,42E,46E,50E,54E)-3,7,11,15,19,23,27,31,35,39,43,47,51,55,59-pentadecamethylhexaconta-2,6,10,14,18,22,26,30,34,38,42,46,50,54,58-pentadecaenyl]naphthalene-1,4-dione
CID 101282289
1-[(3E)-4,8-dimethylnona-3,7-dienyl]-3-methoxybenzene
CID 68508341
2-propylanthracene-9,10-dione
CID 22643716

Frequently Asked Questions

What is the IUPAC name of 2-[(3E)-4,8-dimethylnona-3,7-dienyl]anthracene-9,10-dione?
The IUPAC name of 2-[(3E)-4,8-dimethylnona-3,7-dienyl]anthracene-9,10-dione (CID 155816692) is 2-[(3E)-4,8-dimethylnona-3,7-dienyl]anthracene-9,10-dione.
What is the SMILES notation for 2-[(3E)-4,8-dimethylnona-3,7-dienyl]anthracene-9,10-dione?
The canonical SMILES for 2-[(3E)-4,8-dimethylnona-3,7-dienyl]anthracene-9,10-dione is CC(C)=CCC/C(C)=C/CCc1ccc2c(c1)C(=O)c1ccccc1C2=O.
What is the InChIKey of 2-[(3E)-4,8-dimethylnona-3,7-dienyl]anthracene-9,10-dione?
The InChIKey is YGNPHNOMVBPITA-VCHYOVAHSA-N. The full InChI is InChI=1S/C25H26O2/c1-17(2)8-6-9-18(3)10-7-11-19-14-15-22-23(16-19)25(27)21-13-5-4-12-20(21)24(22)26/h4-5,8,10,12-16H,6-7,9,11H2,1-3H3/b18-10+.
What are the key properties of 2-[(3E)-4,8-dimethylnona-3,7-dienyl]anthracene-9,10-dione?
2-[(3E)-4,8-dimethylnona-3,7-dienyl]anthracene-9,10-dione has a molecular weight of 358.48 g/mol, XLogP of 6.09, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3E)-4,8-dimethylnona-3,7-dienyl]anthracene-9,10-dione is sourced from PubChem (CID 155816692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).