7-[(8R)-8-hydroxy-3,7,11-trimethyldodeca-2,6,10-trienoxy]chromen-2-one

C24H30O4 — CID 163036218

IUPAC7-[(8R)-8-hydroxy-3,7,11-trimethyldodeca-2,6,10-trienoxy]chromen-2-one
SMILESCC(C)=CC[C@@H](O)C(C)=CCCC(C)=CCOc1ccc2ccc(=O)oc2c1
InChIInChI=1S/C24H30O4/c1-17(2)8-12-22(25)19(4)7-5-6-18(3)14-15-27-21-11-9-20-10-13-24(26)28-23(20)16-21/h7-11,13-14,16,22,25H,5-6,12,15H2,1-4H3/t22-/m1/s1
InChIKeyDXGDVCRVUSHMLW-JOCHJYFZSA-N
MW382.50 g/mol
LogP5.56
Rot. Bonds9

About 7-[(8R)-8-hydroxy-3,7,11-trimethyldodeca-2,6,10-trienoxy]chromen-2-one

7-[(8R)-8-hydroxy-3,7,11-trimethyldodeca-2,6,10-trienoxy]chromen-2-one (PubChem CID 163036218) has the molecular formula C24H30O4 and a molecular weight of 382.50 g/mol. Its IUPAC name is 7-[(8R)-8-hydroxy-3,7,11-trimethyldodeca-2,6,10-trienoxy]chromen-2-one.

Molecular Properties

Compound Name7-[(8R)-8-hydroxy-3,7,11-trimethyldodeca-2,6,10-trienoxy]chromen-2-one
PubChem CID163036218
Molecular FormulaC24H30O4
Molecular Weight382.50 g/mol
Exact Mass382.21
IUPAC Name7-[(8R)-8-hydroxy-3,7,11-trimethyldodeca-2,6,10-trienoxy]chromen-2-one
SMILESCC(C)=CC[C@@H](O)C(C)=CCCC(C)=CCOc1ccc2ccc(=O)oc2c1
InChIInChI=1S/C24H30O4/c1-17(2)8-12-22(25)19(4)7-5-6-18(3)14-15-27-21-11-9-20-10-13-24(26)28-23(20)16-21/h7-11,13-14,16,22,25H,5-6,12,15H2,1-4H3/t22-/m1/s1
InChIKeyDXGDVCRVUSHMLW-JOCHJYFZSA-N
XLogP5.56
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.50
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-[(2E)-3,7-dimethylocta-2,6-dienoxy]chromen-2-one;7-(3-methylbut-2-enoxy)chromen-2-one
CID 145196276
7-[(5S,6E)-5-hydroxy-3,7,11-trimethyldodeca-2,6,10-trienoxy]chromen-2-one
CID 162860604
7-(5-hydroxy-3,7,11-trimethyldodeca-2,6,10-trienoxy)chromen-2-one
CID 73081509
7-(3,7-dimethyl-6-oxooct-2-enoxy)chromen-2-one
CID 163000554
7-[(10S,11S)-10,11,12-trihydroxy-3,7,11-trimethyldodeca-2,6-dienoxy]chromen-2-one
CID 162810605
7-(7-ethoxy-6-hydroxy-3,7-dimethyloct-2-enoxy)chromen-2-one
CID 129316808
6-(3,7-dimethylocta-2,6-dienoxy)-1-benzofuran-2-carboxylic acid
CID 54108801
[9-hydroxy-3,7,11-trimethyl-1-(2-oxochromen-7-yl)oxydodeca-2,6,10-trien-4-yl] acetate
CID 162899560
2-methyl-4-(2-oxochromen-7-yl)oxybut-2-enoic acid
CID 162948387
3,4,7-tris[(2E)-3,7-dimethylocta-2,6-dienoxy]chromen-2-one
CID 22854151
7-[5-[(1R,3S,6R)-3,6-dihydroxy-2,2,6-trimethylcyclohexyl]-3-methylpent-2-enoxy]chromen-2-one
CID 162934463
7-[(2E,5E,7S,10R)-7,10,11-trihydroxy-3,7,11-trimethyldodeca-2,5-dienoxy]chromen-2-one
CID 125416430

Frequently Asked Questions

What is the IUPAC name of 7-[(8R)-8-hydroxy-3,7,11-trimethyldodeca-2,6,10-trienoxy]chromen-2-one?
The IUPAC name of 7-[(8R)-8-hydroxy-3,7,11-trimethyldodeca-2,6,10-trienoxy]chromen-2-one (CID 163036218) is 7-[(8R)-8-hydroxy-3,7,11-trimethyldodeca-2,6,10-trienoxy]chromen-2-one.
What is the SMILES notation for 7-[(8R)-8-hydroxy-3,7,11-trimethyldodeca-2,6,10-trienoxy]chromen-2-one?
The canonical SMILES for 7-[(8R)-8-hydroxy-3,7,11-trimethyldodeca-2,6,10-trienoxy]chromen-2-one is CC(C)=CC[C@@H](O)C(C)=CCCC(C)=CCOc1ccc2ccc(=O)oc2c1.
What is the InChIKey of 7-[(8R)-8-hydroxy-3,7,11-trimethyldodeca-2,6,10-trienoxy]chromen-2-one?
The InChIKey is DXGDVCRVUSHMLW-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H30O4/c1-17(2)8-12-22(25)19(4)7-5-6-18(3)14-15-27-21-11-9-20-10-13-24(26)28-23(20)16-21/h7-11,13-14,16,22,25H,5-6,12,15H2,1-4H3/t22-/m1/s1.
What are the key properties of 7-[(8R)-8-hydroxy-3,7,11-trimethyldodeca-2,6,10-trienoxy]chromen-2-one?
7-[(8R)-8-hydroxy-3,7,11-trimethyldodeca-2,6,10-trienoxy]chromen-2-one has a molecular weight of 382.50 g/mol, XLogP of 5.56, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(8R)-8-hydroxy-3,7,11-trimethyldodeca-2,6,10-trienoxy]chromen-2-one is sourced from PubChem (CID 163036218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).