3-naphthalen-1-yltellanyl-2-octyl-2H-furan-5-one

C22H26O2Te — CID 134933455

IUPAC3-naphthalen-1-yltellanyl-2-octyl-2H-furan-5-one
SMILESCCCCCCCCC1OC(=O)C=C1[Te]c1cccc2ccccc12
InChIInChI=1S/C22H26O2Te/c1-2-3-4-5-6-7-14-19-21(16-22(23)24-19)25-20-15-10-12-17-11-8-9-13-18(17)20/h8-13,15-16,19H,2-7,14H2,1H3
InChIKeyJLSHPDFVBMEGDF-UHFFFAOYSA-N
MW450.05 g/mol
LogP4.73
Rot. Bonds9

About 3-naphthalen-1-yltellanyl-2-octyl-2H-furan-5-one

3-naphthalen-1-yltellanyl-2-octyl-2H-furan-5-one (PubChem CID 134933455) has the molecular formula C22H26O2Te and a molecular weight of 450.05 g/mol. Its IUPAC name is 3-naphthalen-1-yltellanyl-2-octyl-2H-furan-5-one.

Molecular Properties

Compound Name3-naphthalen-1-yltellanyl-2-octyl-2H-furan-5-one
PubChem CID134933455
Molecular FormulaC22H26O2Te
Molecular Weight450.05 g/mol
Exact Mass452.10
IUPAC Name3-naphthalen-1-yltellanyl-2-octyl-2H-furan-5-one
SMILESCCCCCCCCC1OC(=O)C=C1[Te]c1cccc2ccccc12
InChIInChI=1S/C22H26O2Te/c1-2-3-4-5-6-7-14-19-21(16-22(23)24-19)25-20-15-10-12-17-11-8-9-13-18(17)20/h8-13,15-16,19H,2-7,14H2,1H3
InChIKeyJLSHPDFVBMEGDF-UHFFFAOYSA-N
XLogP4.73
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.05
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-heptyl-3-(2-hydroxyphenyl)-2H-furan-5-one
CID 141028984
(2R)-2-heptyl-3-(4-methylphenyl)-2H-furan-5-one
CID 101165716
heptane;phenanthrene
CID 157482146
3-hydroxy-2-(3-phenylpropyl)-2H-furan-5-one
CID 69066807
3,6-diheptyl-1,4-dioxane-2,5-dione
CID 14460388
4-methylidene-3-octylisochromen-1-one
CID 10826080
(6S)-6-octadecyl-6H-chromeno[4,3-b]chromen-7-one
CID 162820158
hexakis(decane);ethylbenzene
CID 173398562
ethyl 2-octyl-5-oxo-4-phenylmethoxy-2H-furan-3-carboxylate
CID 59180469
(3S)-3-pentadecyl-3,4-dihydroisochromen-1-one
CID 101031026
(3S)-3-heptyl-3,4-dihydroisochromen-1-one
CID 102208201
(2R)-4-methyl-2-pentyl-2,3-dihydropyran-6-one
CID 129405234

Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-1-yltellanyl-2-octyl-2H-furan-5-one?
The IUPAC name of 3-naphthalen-1-yltellanyl-2-octyl-2H-furan-5-one (CID 134933455) is 3-naphthalen-1-yltellanyl-2-octyl-2H-furan-5-one.
What is the SMILES notation for 3-naphthalen-1-yltellanyl-2-octyl-2H-furan-5-one?
The canonical SMILES for 3-naphthalen-1-yltellanyl-2-octyl-2H-furan-5-one is CCCCCCCCC1OC(=O)C=C1[Te]c1cccc2ccccc12.
What is the InChIKey of 3-naphthalen-1-yltellanyl-2-octyl-2H-furan-5-one?
The InChIKey is JLSHPDFVBMEGDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26O2Te/c1-2-3-4-5-6-7-14-19-21(16-22(23)24-19)25-20-15-10-12-17-11-8-9-13-18(17)20/h8-13,15-16,19H,2-7,14H2,1H3.
What are the key properties of 3-naphthalen-1-yltellanyl-2-octyl-2H-furan-5-one?
3-naphthalen-1-yltellanyl-2-octyl-2H-furan-5-one has a molecular weight of 450.05 g/mol, XLogP of 4.73, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-1-yltellanyl-2-octyl-2H-furan-5-one is sourced from PubChem (CID 134933455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).