3-methyl-3-(3-methylhexan-3-yltellanyl)hexane;propanoic acid

C17H36O2Te — CID 175415123

IUPAC3-methyl-3-(3-methylhexan-3-yltellanyl)hexane;propanoic acid
SMILESCCC(=O)O.CCCC(C)(CC)[Te]C(C)(CC)CCC
InChIInChI=1S/C14H30Te.C3H6O2/c1-7-11-13(5,9-3)15-14(6,10-4)12-8-2;1-2-3(4)5/h7-12H2,1-6H3;2H2,1H3,(H,4,5)
InChIKeyFQKQKWLDUAQSHD-UHFFFAOYSA-N
MW400.07 g/mol
LogP5.95
Rot. Bonds9

About 3-methyl-3-(3-methylhexan-3-yltellanyl)hexane;propanoic acid

3-methyl-3-(3-methylhexan-3-yltellanyl)hexane;propanoic acid (PubChem CID 175415123) has the molecular formula C17H36O2Te and a molecular weight of 400.07 g/mol. Its IUPAC name is 3-methyl-3-(3-methylhexan-3-yltellanyl)hexane;propanoic acid.

Molecular Properties

Compound Name3-methyl-3-(3-methylhexan-3-yltellanyl)hexane;propanoic acid
PubChem CID175415123
Molecular FormulaC17H36O2Te
Molecular Weight400.07 g/mol
Exact Mass402.18
IUPAC Name3-methyl-3-(3-methylhexan-3-yltellanyl)hexane;propanoic acid
SMILESCCC(=O)O.CCCC(C)(CC)[Te]C(C)(CC)CCC
InChIInChI=1S/C14H30Te.C3H6O2/c1-7-11-13(5,9-3)15-14(6,10-4)12-8-2;1-2-3(4)5/h7-12H2,1-6H3;2H2,1H3,(H,4,5)
InChIKeyFQKQKWLDUAQSHD-UHFFFAOYSA-N
XLogP5.95
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.07
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(3-methylhexan-3-yltellanyl)hexane;propanoic acid?
The IUPAC name of 3-methyl-3-(3-methylhexan-3-yltellanyl)hexane;propanoic acid (CID 175415123) is 3-methyl-3-(3-methylhexan-3-yltellanyl)hexane;propanoic acid.
What is the SMILES notation for 3-methyl-3-(3-methylhexan-3-yltellanyl)hexane;propanoic acid?
The canonical SMILES for 3-methyl-3-(3-methylhexan-3-yltellanyl)hexane;propanoic acid is CCC(=O)O.CCCC(C)(CC)[Te]C(C)(CC)CCC.
What is the InChIKey of 3-methyl-3-(3-methylhexan-3-yltellanyl)hexane;propanoic acid?
The InChIKey is FQKQKWLDUAQSHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30Te.C3H6O2/c1-7-11-13(5,9-3)15-14(6,10-4)12-8-2;1-2-3(4)5/h7-12H2,1-6H3;2H2,1H3,(H,4,5).
What are the key properties of 3-methyl-3-(3-methylhexan-3-yltellanyl)hexane;propanoic acid?
3-methyl-3-(3-methylhexan-3-yltellanyl)hexane;propanoic acid has a molecular weight of 400.07 g/mol, XLogP of 5.95, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(3-methylhexan-3-yltellanyl)hexane;propanoic acid is sourced from PubChem (CID 175415123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).