6-(3,7-dimethylocta-2,6-dienoxy)-2H-naphthalen-1-one

C20H24O2 — CID 142633096

IUPAC6-(3,7-dimethylocta-2,6-dienoxy)-2H-naphthalen-1-one
SMILESCC(C)=CCCC(C)=CCOc1ccc2c(c1)C=CCC2=O
InChIInChI=1S/C20H24O2/c1-15(2)6-4-7-16(3)12-13-22-18-10-11-19-17(14-18)8-5-9-20(19)21/h5-6,8,10-12,14H,4,7,9,13H2,1-3H3
InChIKeyJFRULDBNPSKJTI-UHFFFAOYSA-N
MW296.41 g/mol
LogP5.36
Rot. Bonds6

About 6-(3,7-dimethylocta-2,6-dienoxy)-2H-naphthalen-1-one

6-(3,7-dimethylocta-2,6-dienoxy)-2H-naphthalen-1-one (PubChem CID 142633096) has the molecular formula C20H24O2 and a molecular weight of 296.41 g/mol. Its IUPAC name is 6-(3,7-dimethylocta-2,6-dienoxy)-2H-naphthalen-1-one.

Molecular Properties

Compound Name6-(3,7-dimethylocta-2,6-dienoxy)-2H-naphthalen-1-one
PubChem CID142633096
Molecular FormulaC20H24O2
Molecular Weight296.41 g/mol
Exact Mass296.18
IUPAC Name6-(3,7-dimethylocta-2,6-dienoxy)-2H-naphthalen-1-one
SMILESCC(C)=CCCC(C)=CCOc1ccc2c(c1)C=CCC2=O
InChIInChI=1S/C20H24O2/c1-15(2)6-4-7-16(3)12-13-22-18-10-11-19-17(14-18)8-5-9-20(19)21/h5-6,8,10-12,14H,4,7,9,13H2,1-3H3
InChIKeyJFRULDBNPSKJTI-UHFFFAOYSA-N
XLogP5.36
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.41
LogP ≤ 55.36
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

1-[(2E,6E)-3,7-dimethyldeca-2,6-dienoxy]-3,5-bis[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]benzene
CID 162436832
2-[(2E,6E,10E,14E)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaenoxy]phenazine
CID 129320347
4-(3,7-dimethylocta-2,6-dienoxy)-2-hydroxybenzoic acid
CID 54278748
7-[(2E)-3,7-dimethylocta-2,6-dienoxy]chromen-2-one;7-(3-methylbut-2-enoxy)chromen-2-one
CID 145196276
4-(3,7-dimethylocta-2,6-dienoxy)benzoic acid
CID 54274018
1-(3,7-dimethylocta-2,6-dienoxy)-4-ethylbenzene
CID 54241821
1-tert-butyl-4-[(2Z)-3,7-dimethylocta-2,6-dienoxy]benzene
CID 5383734
3,4,7-tris[(2E)-3,7-dimethylocta-2,6-dienoxy]chromen-2-one
CID 22854151
1-[4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2,6-dihydroxyphenyl]ethanone
CID 10859675
[7-(3,7-dimethylocta-2,6-dienoxy)-3-hydroxy-2-oxochromen-4-yl] acetate
CID 54151159
1,4-dimethyl-7-(3,7,11-trimethyldodeca-2,6,10-trienoxy)phenothiazin-3-one
CID 123265772
3-[4-[(2E)-3,7-dimethylocta-2,6-dienoxy]phenyl]-2-oxopropanoic acid
CID 67490782

Frequently Asked Questions

What is the IUPAC name of 6-(3,7-dimethylocta-2,6-dienoxy)-2H-naphthalen-1-one?
The IUPAC name of 6-(3,7-dimethylocta-2,6-dienoxy)-2H-naphthalen-1-one (CID 142633096) is 6-(3,7-dimethylocta-2,6-dienoxy)-2H-naphthalen-1-one.
What is the SMILES notation for 6-(3,7-dimethylocta-2,6-dienoxy)-2H-naphthalen-1-one?
The canonical SMILES for 6-(3,7-dimethylocta-2,6-dienoxy)-2H-naphthalen-1-one is CC(C)=CCCC(C)=CCOc1ccc2c(c1)C=CCC2=O.
What is the InChIKey of 6-(3,7-dimethylocta-2,6-dienoxy)-2H-naphthalen-1-one?
The InChIKey is JFRULDBNPSKJTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O2/c1-15(2)6-4-7-16(3)12-13-22-18-10-11-19-17(14-18)8-5-9-20(19)21/h5-6,8,10-12,14H,4,7,9,13H2,1-3H3.
What are the key properties of 6-(3,7-dimethylocta-2,6-dienoxy)-2H-naphthalen-1-one?
6-(3,7-dimethylocta-2,6-dienoxy)-2H-naphthalen-1-one has a molecular weight of 296.41 g/mol, XLogP of 5.36, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,7-dimethylocta-2,6-dienoxy)-2H-naphthalen-1-one is sourced from PubChem (CID 142633096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).