2-[(3E)-4,8-dimethylnona-3,7-dienyl]-2,7-dimethyl-7,8-dihydro-6H-chromen-5-one

C22H32O2 — CID 11427440

IUPAC2-[(3E)-4,8-dimethylnona-3,7-dienyl]-2,7-dimethyl-7,8-dihydro-6H-chromen-5-one
SMILESCC(C)=CCC/C(C)=C/CCC1(C)C=CC2=C(CC(C)CC2=O)O1
InChIInChI=1S/C22H32O2/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/h8,10-11,13,18H,6-7,9,12,14-15H2,1-5H3/b17-10+
InChIKeyJRRNMYLIODRJDC-LICLKQGHSA-N
MW328.50 g/mol
LogP6.06
Rot. Bonds6

About 2-[(3E)-4,8-dimethylnona-3,7-dienyl]-2,7-dimethyl-7,8-dihydro-6H-chromen-5-one

2-[(3E)-4,8-dimethylnona-3,7-dienyl]-2,7-dimethyl-7,8-dihydro-6H-chromen-5-one (PubChem CID 11427440) has the molecular formula C22H32O2 and a molecular weight of 328.50 g/mol. Its IUPAC name is 2-[(3E)-4,8-dimethylnona-3,7-dienyl]-2,7-dimethyl-7,8-dihydro-6H-chromen-5-one.

Molecular Properties

Compound Name2-[(3E)-4,8-dimethylnona-3,7-dienyl]-2,7-dimethyl-7,8-dihydro-6H-chromen-5-one
PubChem CID11427440
Molecular FormulaC22H32O2
Molecular Weight328.50 g/mol
Exact Mass328.24
IUPAC Name2-[(3E)-4,8-dimethylnona-3,7-dienyl]-2,7-dimethyl-7,8-dihydro-6H-chromen-5-one
SMILESCC(C)=CCC/C(C)=C/CCC1(C)C=CC2=C(CC(C)CC2=O)O1
InChIInChI=1S/C22H32O2/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/h8,10-11,13,18H,6-7,9,12,14-15H2,1-5H3/b17-10+
InChIKeyJRRNMYLIODRJDC-LICLKQGHSA-N
XLogP6.06
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.50
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(3E)-4,8-dimethylnona-3,7-dienyl]-2,7-dimethyl-7,8-dihydro-6H-chromen-5-one with MolForge

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Related Compounds

(2R)-2,7-dimethyl-8-(3-methylbut-2-enyl)-2-[(1E)-4-methylpenta-1,3-dienyl]-3,4-dihydrochromene-5,6-dione
CID 163004757
2,2-Dimethyl-2,6,7,8-tetrahydro-5H-1-benzopyran-5-one
CID 11622435
2-Methyl-2-(4-methylpent-3-enyl)-2,6,7,8-tetrahydro-chromen-5-one
CID 11637365
6-fluoro-2-methyl-2-propan-2-yl-5,6-dihydro-3H-chromen-4-one
CID 139642662
2,2,6,6,8,8-Hexamethylchromene-5,7-dione
CID 85714133
2,7,8-Trimethyl-2(4,8,12-trimethyltridecyl)5,6-chromandione
CID 10950059
2-methyl-2-(4-methylpent-3-enyl)-5-oxo-7,8-dihydro-6H-chromene-6-carbaldehyde
CID 11666260
2,5,8-Trimethyl-7-methylidene-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-one
CID 75033058
2,7,8-Trimethyl-5-methylidene-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-one
CID 100958630
2-Octyl-2,6,7,8-tetrahydrochromen-5-one
CID 134967488
2,2-dimethyl-5-oxo-7,8-dihydro-6H-chromene-6-carbaldehyde
CID 134970326
(5R,8S)-4-methoxy-3,8-dimethyl-5-[(2S)-pent-4-en-2-yl]-5,6,7,8-tetrahydronaphthalene-1,2-dione
CID 11989825

Frequently Asked Questions

What is the IUPAC name of 2-[(3E)-4,8-dimethylnona-3,7-dienyl]-2,7-dimethyl-7,8-dihydro-6H-chromen-5-one?
The IUPAC name of 2-[(3E)-4,8-dimethylnona-3,7-dienyl]-2,7-dimethyl-7,8-dihydro-6H-chromen-5-one (CID 11427440) is 2-[(3E)-4,8-dimethylnona-3,7-dienyl]-2,7-dimethyl-7,8-dihydro-6H-chromen-5-one.
What is the SMILES notation for 2-[(3E)-4,8-dimethylnona-3,7-dienyl]-2,7-dimethyl-7,8-dihydro-6H-chromen-5-one?
The canonical SMILES for 2-[(3E)-4,8-dimethylnona-3,7-dienyl]-2,7-dimethyl-7,8-dihydro-6H-chromen-5-one is CC(C)=CCC/C(C)=C/CCC1(C)C=CC2=C(CC(C)CC2=O)O1.
What is the InChIKey of 2-[(3E)-4,8-dimethylnona-3,7-dienyl]-2,7-dimethyl-7,8-dihydro-6H-chromen-5-one?
The InChIKey is JRRNMYLIODRJDC-LICLKQGHSA-N. The full InChI is InChI=1S/C22H32O2/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/h8,10-11,13,18H,6-7,9,12,14-15H2,1-5H3/b17-10+.
What are the key properties of 2-[(3E)-4,8-dimethylnona-3,7-dienyl]-2,7-dimethyl-7,8-dihydro-6H-chromen-5-one?
2-[(3E)-4,8-dimethylnona-3,7-dienyl]-2,7-dimethyl-7,8-dihydro-6H-chromen-5-one has a molecular weight of 328.50 g/mol, XLogP of 6.06, 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]-2,7-dimethyl-7,8-dihydro-6H-chromen-5-one is sourced from PubChem (CID 11427440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).