bis(octanoic acid);tellane;hydrate

C16H36O5Te — CID 175440468

IUPACbis(octanoic acid);tellane;hydrate
SMILESCCCCCCCC(=O)O.CCCCCCCC(=O)O.O.[TeH2]
InChIInChI=1S/2C8H16O2.H2O.H2Te/c2*1-2-3-4-5-6-7-8(9)10;;/h2*2-7H2,1H3,(H,9,10);2*1H2
InChIKeyYVKSPIQCOYCCEN-UHFFFAOYSA-N
MW436.06 g/mol
LogP3.12
Rot. Bonds12

About bis(octanoic acid);tellane;hydrate

bis(octanoic acid);tellane;hydrate (PubChem CID 175440468) has the molecular formula C16H36O5Te and a molecular weight of 436.06 g/mol. Its IUPAC name is bis(octanoic acid);tellane;hydrate.

Molecular Properties

Compound Namebis(octanoic acid);tellane;hydrate
PubChem CID175440468
Molecular FormulaC16H36O5Te
Molecular Weight436.06 g/mol
Exact Mass438.16
IUPAC Namebis(octanoic acid);tellane;hydrate
SMILESCCCCCCCC(=O)O.CCCCCCCC(=O)O.O.[TeH2]
InChIInChI=1S/2C8H16O2.H2O.H2Te/c2*1-2-3-4-5-6-7-8(9)10;;/h2*2-7H2,1H3,(H,9,10);2*1H2
InChIKeyYVKSPIQCOYCCEN-UHFFFAOYSA-N
XLogP3.12
TPSA106.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.06
LogP ≤ 53.12
H-Bond Donors ≤ 52
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

octadecanoic acid;hydrate
CID 86588300
CID 6335315
CID 6335315
octadecanoic acid;titanium;trihydrate
CID 153488689
CID 6328046
CID 6328046
henicosane;tetracontanoic acid
CID 175935348
dodecanoic acid
CID 158187269
(1,3,5,7,9-13C5)hexadecanoic acid
CID 71309479
docosanoic acid;bis(tetracosanoic acid)
CID 161141504
hexatriacontanoic acid
CID 87094359
tetradecanoic acid
CID 88995416
henicosane;tricosanoic acid
CID 175935357
decanoic acid;tetradecanoic acid
CID 87611521

Frequently Asked Questions

What is the IUPAC name of bis(octanoic acid);tellane;hydrate?
The IUPAC name of bis(octanoic acid);tellane;hydrate (CID 175440468) is bis(octanoic acid);tellane;hydrate.
What is the SMILES notation for bis(octanoic acid);tellane;hydrate?
The canonical SMILES for bis(octanoic acid);tellane;hydrate is CCCCCCCC(=O)O.CCCCCCCC(=O)O.O.[TeH2].
What is the InChIKey of bis(octanoic acid);tellane;hydrate?
The InChIKey is YVKSPIQCOYCCEN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H16O2.H2O.H2Te/c2*1-2-3-4-5-6-7-8(9)10;;/h2*2-7H2,1H3,(H,9,10);2*1H2.
What are the key properties of bis(octanoic acid);tellane;hydrate?
bis(octanoic acid);tellane;hydrate has a molecular weight of 436.06 g/mol, XLogP of 3.12, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(octanoic acid);tellane;hydrate is sourced from PubChem (CID 175440468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).