2-methyltellanylpentan-3-one

C6H12OTe — CID 141159308

IUPAC2-methyltellanylpentan-3-one
SMILESCCC(=O)C(C)[Te]C
InChIInChI=1S/C6H12OTe/c1-4-6(7)5(2)8-3/h5H,4H2,1-3H3
InChIKeyHJTXMINJSQAOFI-UHFFFAOYSA-N
MW227.76 g/mol
LogP1.53
Rot. Bonds3

About 2-methyltellanylpentan-3-one

2-methyltellanylpentan-3-one (PubChem CID 141159308) has the molecular formula C6H12OTe and a molecular weight of 227.76 g/mol. Its IUPAC name is 2-methyltellanylpentan-3-one.

Molecular Properties

Compound Name2-methyltellanylpentan-3-one
PubChem CID141159308
Molecular FormulaC6H12OTe
Molecular Weight227.76 g/mol
Exact Mass230.00
IUPAC Name2-methyltellanylpentan-3-one
SMILESCCC(=O)C(C)[Te]C
InChIInChI=1S/C6H12OTe/c1-4-6(7)5(2)8-3/h5H,4H2,1-3H3
InChIKeyHJTXMINJSQAOFI-UHFFFAOYSA-N
XLogP1.53
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.76
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Methyl Ethyl Ketone
CID 6569
Ethyl ketone
CID 7288
2-Pentanone
CID 7895
3-Hexanone
CID 11509
2,3-Pentanedione
CID 11747
2-Butanone-1,1,1,3,3-d5
CID 16213377
2-Pentanone-1,1,1,3,3-d5
CID 12006902
2-Butanone-4,4,4-d3
CID 12200359
(2R)-2-fluoropentan-3-one
CID 134943930
HCl butanone
CID 12200355
2-Deutero-3-pentanone
CID 12214490
Acetone methyl ethyl ketone
CID 22381885

Frequently Asked Questions

What is the IUPAC name of 2-methyltellanylpentan-3-one?
The IUPAC name of 2-methyltellanylpentan-3-one (CID 141159308) is 2-methyltellanylpentan-3-one.
What is the SMILES notation for 2-methyltellanylpentan-3-one?
The canonical SMILES for 2-methyltellanylpentan-3-one is CCC(=O)C(C)[Te]C.
What is the InChIKey of 2-methyltellanylpentan-3-one?
The InChIKey is HJTXMINJSQAOFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12OTe/c1-4-6(7)5(2)8-3/h5H,4H2,1-3H3.
What are the key properties of 2-methyltellanylpentan-3-one?
2-methyltellanylpentan-3-one has a molecular weight of 227.76 g/mol, XLogP of 1.53, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyltellanylpentan-3-one is sourced from PubChem (CID 141159308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).