(2-methyl-2-tellanylbutyl) acetate

C7H14O2Te — CID 175046736

IUPAC(2-methyl-2-tellanylbutyl) acetate
SMILESCCC(C)([TeH])COC(C)=O
InChIInChI=1S/C7H14O2Te/c1-4-7(3,10)5-9-6(2)8/h10H,4-5H2,1-3H3
InChIKeyKQVAMJDFBBLPMB-UHFFFAOYSA-N
MW257.79 g/mol
LogP1.04
Rot. Bonds3

About (2-methyl-2-tellanylbutyl) acetate

(2-methyl-2-tellanylbutyl) acetate (PubChem CID 175046736) has the molecular formula C7H14O2Te and a molecular weight of 257.79 g/mol. Its IUPAC name is (2-methyl-2-tellanylbutyl) acetate.

Molecular Properties

Compound Name(2-methyl-2-tellanylbutyl) acetate
PubChem CID175046736
Molecular FormulaC7H14O2Te
Molecular Weight257.79 g/mol
Exact Mass260.01
IUPAC Name(2-methyl-2-tellanylbutyl) acetate
SMILESCCC(C)([TeH])COC(C)=O
InChIInChI=1S/C7H14O2Te/c1-4-7(3,10)5-9-6(2)8/h10H,4-5H2,1-3H3
InChIKeyKQVAMJDFBBLPMB-UHFFFAOYSA-N
XLogP1.04
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.79
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2,2-diethyl-3,3-dimethylbutyl) acetate
CID 21363584
2,2-dimethylpropyl acetate
CID 13552
2,2-difluorobutyl acetate
CID 58275605
(2-ethyl-2-methylsulfanylbutyl) acetate
CID 142287040
(3-acetyloxy-2,2-dimethylpropyl) propanoate
CID 20633683
[2-(acetyloxymethyl)-2-ethylbutyl] 2-methyl-2-sulfanylpropanoate
CID 59676553
[3-acetyloxy-2,2-bis(acetyloxymethyl)propyl] propanoate
CID 22964769
(2-carboxyoxy-2-methylpropyl) acetate
CID 151546232
[2-(acetyloxymethyl)-2-methyl-3-oxopentyl] acetate
CID 122525361
(2-methyl-2-propylpentyl) acetate
CID 89417633
(2-ethyl-2-methylhexyl) acetate
CID 90020501
[3-(acetyloxymethoxy)-2,2-dimethylpropyl] acetate
CID 13356615

Frequently Asked Questions

What is the IUPAC name of (2-methyl-2-tellanylbutyl) acetate?
The IUPAC name of (2-methyl-2-tellanylbutyl) acetate (CID 175046736) is (2-methyl-2-tellanylbutyl) acetate.
What is the SMILES notation for (2-methyl-2-tellanylbutyl) acetate?
The canonical SMILES for (2-methyl-2-tellanylbutyl) acetate is CCC(C)([TeH])COC(C)=O.
What is the InChIKey of (2-methyl-2-tellanylbutyl) acetate?
The InChIKey is KQVAMJDFBBLPMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2Te/c1-4-7(3,10)5-9-6(2)8/h10H,4-5H2,1-3H3.
What are the key properties of (2-methyl-2-tellanylbutyl) acetate?
(2-methyl-2-tellanylbutyl) acetate has a molecular weight of 257.79 g/mol, XLogP of 1.04, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-2-tellanylbutyl) acetate is sourced from PubChem (CID 175046736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).