1-(2-butyltellanylcyclopenten-1-yl)ethanone

C11H18OTe — CID 100948379

IUPAC1-(2-butyltellanylcyclopenten-1-yl)ethanone
SMILESCCCC[Te]C1=C(C(C)=O)CCC1
InChIInChI=1S/C11H18OTe/c1-3-4-8-13-11-7-5-6-10(11)9(2)12/h3-8H2,1-2H3
InChIKeyDTUHXMVDHVABFL-UHFFFAOYSA-N
MW293.86 g/mol
LogP2.94
Rot. Bonds5

About 1-(2-butyltellanylcyclopenten-1-yl)ethanone

1-(2-butyltellanylcyclopenten-1-yl)ethanone (PubChem CID 100948379) has the molecular formula C11H18OTe and a molecular weight of 293.86 g/mol. Its IUPAC name is 1-(2-butyltellanylcyclopenten-1-yl)ethanone.

Molecular Properties

Compound Name1-(2-butyltellanylcyclopenten-1-yl)ethanone
PubChem CID100948379
Molecular FormulaC11H18OTe
Molecular Weight293.86 g/mol
Exact Mass296.04
IUPAC Name1-(2-butyltellanylcyclopenten-1-yl)ethanone
SMILESCCCC[Te]C1=C(C(C)=O)CCC1
InChIInChI=1S/C11H18OTe/c1-3-4-8-13-11-7-5-6-10(11)9(2)12/h3-8H2,1-2H3
InChIKeyDTUHXMVDHVABFL-UHFFFAOYSA-N
XLogP2.94
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.86
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-butyltellanylcyclopenten-1-yl)ethanone?
The IUPAC name of 1-(2-butyltellanylcyclopenten-1-yl)ethanone (CID 100948379) is 1-(2-butyltellanylcyclopenten-1-yl)ethanone.
What is the SMILES notation for 1-(2-butyltellanylcyclopenten-1-yl)ethanone?
The canonical SMILES for 1-(2-butyltellanylcyclopenten-1-yl)ethanone is CCCC[Te]C1=C(C(C)=O)CCC1.
What is the InChIKey of 1-(2-butyltellanylcyclopenten-1-yl)ethanone?
The InChIKey is DTUHXMVDHVABFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18OTe/c1-3-4-8-13-11-7-5-6-10(11)9(2)12/h3-8H2,1-2H3.
What are the key properties of 1-(2-butyltellanylcyclopenten-1-yl)ethanone?
1-(2-butyltellanylcyclopenten-1-yl)ethanone has a molecular weight of 293.86 g/mol, XLogP of 2.94, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-butyltellanylcyclopenten-1-yl)ethanone is sourced from PubChem (CID 100948379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).