methyl 6-undecyltellanylhexanoate

C18H36O2Te — CID 13147748

IUPACmethyl 6-undecyltellanylhexanoate
SMILESCCCCCCCCCCC[Te]CCCCCC(=O)OC
InChIInChI=1S/C18H36O2Te/c1-3-4-5-6-7-8-9-10-13-16-21-17-14-11-12-15-18(19)20-2/h3-17H2,1-2H3
InChIKeyBXLCWFYEKDVIFG-UHFFFAOYSA-N
MW412.08 g/mol
LogP5.79
Rot. Bonds16

About methyl 6-undecyltellanylhexanoate

methyl 6-undecyltellanylhexanoate (PubChem CID 13147748) has the molecular formula C18H36O2Te and a molecular weight of 412.08 g/mol. Its IUPAC name is methyl 6-undecyltellanylhexanoate.

Molecular Properties

Compound Namemethyl 6-undecyltellanylhexanoate
PubChem CID13147748
Molecular FormulaC18H36O2Te
Molecular Weight412.08 g/mol
Exact Mass414.18
IUPAC Namemethyl 6-undecyltellanylhexanoate
SMILESCCCCCCCCCCC[Te]CCCCCC(=O)OC
InChIInChI=1S/C18H36O2Te/c1-3-4-5-6-7-8-9-10-13-16-21-17-14-11-12-15-18(19)20-2/h3-17H2,1-2H3
InChIKeyBXLCWFYEKDVIFG-UHFFFAOYSA-N
XLogP5.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.08
LogP ≤ 55.79
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

methyl heptadecanoate
CID 15609
methyl tetradecanoate
CID 89052795
methyl heptanoate
CID 7826
methyl octadecanoate;methyl octanoate
CID 157178883
methyl heptanoate;dihydrochloride
CID 140971064
CID 159528754
CID 159528754
methyl nonanoate;hydrochloride
CID 141151355
methanol;methyl decanoate
CID 174459243
potassium;hydride;methyl octadecanoate
CID 175153010
ethane;methyl hexanoate
CID 159004993
methyl 6-oxoicosanoate
CID 57100590
methyl 8-oxotridecanoate
CID 14454473

Frequently Asked Questions

What is the IUPAC name of methyl 6-undecyltellanylhexanoate?
The IUPAC name of methyl 6-undecyltellanylhexanoate (CID 13147748) is methyl 6-undecyltellanylhexanoate.
What is the SMILES notation for methyl 6-undecyltellanylhexanoate?
The canonical SMILES for methyl 6-undecyltellanylhexanoate is CCCCCCCCCCC[Te]CCCCCC(=O)OC.
What is the InChIKey of methyl 6-undecyltellanylhexanoate?
The InChIKey is BXLCWFYEKDVIFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O2Te/c1-3-4-5-6-7-8-9-10-13-16-21-17-14-11-12-15-18(19)20-2/h3-17H2,1-2H3.
What are the key properties of methyl 6-undecyltellanylhexanoate?
methyl 6-undecyltellanylhexanoate has a molecular weight of 412.08 g/mol, XLogP of 5.79, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-undecyltellanylhexanoate is sourced from PubChem (CID 13147748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).