2-(4,8-dimethylnona-3,7-dienyl)-2,7-dimethyl-3H-chromen-5-one

C22H30O2 — CID 135025838

IUPAC2-(4,8-dimethylnona-3,7-dienyl)-2,7-dimethyl-3H-chromen-5-one
SMILESCC(C)=CCCC(C)=CCCC1(C)CC=C2C(=O)C=C(C)C=C2O1
InChIInChI=1S/C22H30O2/c1-16(2)8-6-9-17(3)10-7-12-22(5)13-11-19-20(23)14-18(4)15-21(19)24-22/h8,10-11,14-15H,6-7,9,12-13H2,1-5H3
InChIKeyFUUFSKZEBUIWCF-UHFFFAOYSA-N
MW326.48 g/mol
LogP5.98
Rot. Bonds6

About 2-(4,8-dimethylnona-3,7-dienyl)-2,7-dimethyl-3H-chromen-5-one

2-(4,8-dimethylnona-3,7-dienyl)-2,7-dimethyl-3H-chromen-5-one (PubChem CID 135025838) has the molecular formula C22H30O2 and a molecular weight of 326.48 g/mol. Its IUPAC name is 2-(4,8-dimethylnona-3,7-dienyl)-2,7-dimethyl-3H-chromen-5-one.

Molecular Properties

Compound Name2-(4,8-dimethylnona-3,7-dienyl)-2,7-dimethyl-3H-chromen-5-one
PubChem CID135025838
Molecular FormulaC22H30O2
Molecular Weight326.48 g/mol
Exact Mass326.22
IUPAC Name2-(4,8-dimethylnona-3,7-dienyl)-2,7-dimethyl-3H-chromen-5-one
SMILESCC(C)=CCCC(C)=CCCC1(C)CC=C2C(=O)C=C(C)C=C2O1
InChIInChI=1S/C22H30O2/c1-16(2)8-6-9-17(3)10-7-12-22(5)13-11-19-20(23)14-18(4)15-21(19)24-22/h8,10-11,14-15H,6-7,9,12-13H2,1-5H3
InChIKeyFUUFSKZEBUIWCF-UHFFFAOYSA-N
XLogP5.98
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.48
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-(4,8-dimethylnona-3,7-dienyl)-2,7-dimethyl-3H-chromen-5-one?
The IUPAC name of 2-(4,8-dimethylnona-3,7-dienyl)-2,7-dimethyl-3H-chromen-5-one (CID 135025838) is 2-(4,8-dimethylnona-3,7-dienyl)-2,7-dimethyl-3H-chromen-5-one.
What is the SMILES notation for 2-(4,8-dimethylnona-3,7-dienyl)-2,7-dimethyl-3H-chromen-5-one?
The canonical SMILES for 2-(4,8-dimethylnona-3,7-dienyl)-2,7-dimethyl-3H-chromen-5-one is CC(C)=CCCC(C)=CCCC1(C)CC=C2C(=O)C=C(C)C=C2O1.
What is the InChIKey of 2-(4,8-dimethylnona-3,7-dienyl)-2,7-dimethyl-3H-chromen-5-one?
The InChIKey is FUUFSKZEBUIWCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30O2/c1-16(2)8-6-9-17(3)10-7-12-22(5)13-11-19-20(23)14-18(4)15-21(19)24-22/h8,10-11,14-15H,6-7,9,12-13H2,1-5H3.
What are the key properties of 2-(4,8-dimethylnona-3,7-dienyl)-2,7-dimethyl-3H-chromen-5-one?
2-(4,8-dimethylnona-3,7-dienyl)-2,7-dimethyl-3H-chromen-5-one has a molecular weight of 326.48 g/mol, XLogP of 5.98, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,8-dimethylnona-3,7-dienyl)-2,7-dimethyl-3H-chromen-5-one is sourced from PubChem (CID 135025838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).