1-[dichloro-(4,4-dimethyl-3-oxopentyl)-lambda4-tellanyl]-4,4-dimethylpentan-3-one

C14H26Cl2O2Te — CID 15143199

IUPAC1-[dichloro-(4,4-dimethyl-3-oxopentyl)-lambda4-tellanyl]-4,4-dimethylpentan-3-one
SMILESCC(C)(C)C(=O)CC[Te](Cl)(Cl)CCC(=O)C(C)(C)C
InChIInChI=1S/C14H26Cl2O2Te/c1-13(2,3)11(17)7-9-19(15,16)10-8-12(18)14(4,5)6/h7-10H2,1-6H3
InChIKeyYGJCCURQNJHKIG-UHFFFAOYSA-N
MW424.87 g/mol
LogP4.92
Rot. Bonds6

About 1-[dichloro-(4,4-dimethyl-3-oxopentyl)-lambda4-tellanyl]-4,4-dimethylpentan-3-one

1-[dichloro-(4,4-dimethyl-3-oxopentyl)-lambda4-tellanyl]-4,4-dimethylpentan-3-one (PubChem CID 15143199) has the molecular formula C14H26Cl2O2Te and a molecular weight of 424.87 g/mol. Its IUPAC name is 1-[dichloro-(4,4-dimethyl-3-oxopentyl)-lambda4-tellanyl]-4,4-dimethylpentan-3-one.

Molecular Properties

Compound Name1-[dichloro-(4,4-dimethyl-3-oxopentyl)-lambda4-tellanyl]-4,4-dimethylpentan-3-one
PubChem CID15143199
Molecular FormulaC14H26Cl2O2Te
Molecular Weight424.87 g/mol
Exact Mass426.04
IUPAC Name1-[dichloro-(4,4-dimethyl-3-oxopentyl)-lambda4-tellanyl]-4,4-dimethylpentan-3-one
SMILESCC(C)(C)C(=O)CC[Te](Cl)(Cl)CCC(=O)C(C)(C)C
InChIInChI=1S/C14H26Cl2O2Te/c1-13(2,3)11(17)7-9-19(15,16)10-8-12(18)14(4,5)6/h7-10H2,1-6H3
InChIKeyYGJCCURQNJHKIG-UHFFFAOYSA-N
XLogP4.92
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.87
LogP ≤ 54.92
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

1-[(4,4-dimethyl-3-oxopentyl)disulfanyl]-4,4-dimethylpentan-3-one
CID 118403333
6-(5,5-dimethyl-4-oxohexoxy)-2,2-dimethylhexan-3-one
CID 148963643
8,8-dimethyl-4,7-dioxononanoic acid
CID 121218227
17,17-dimethyl-16-oxooctadecanoic acid
CID 139546409
praseodymium;2,2,6,6-tetramethylheptane-3,5-dione
CID 139531007
calcium 2,2,6,6-tetramethylheptane-3,5-dione
CID 21192278
(2R)-6,6-dimethyl-5-oxo-2-propan-2-ylheptanal
CID 10997984
5,5-dimethyl-N-[2-(methylamino)ethyl]-4-oxohexanamide
CID 123850172
2,2,6,6-tetramethyl-5-methylideneheptan-3-one
CID 89173069
CID 87503019
CID 87503019
oxovanadium;bis(2,2,6,6-tetramethylheptane-3,5-dione)
CID 88830247
calcium;hydride;2,2,6,6-tetramethylheptane-3,5-dione
CID 173276240

Frequently Asked Questions

What is the IUPAC name of 1-[dichloro-(4,4-dimethyl-3-oxopentyl)-lambda4-tellanyl]-4,4-dimethylpentan-3-one?
The IUPAC name of 1-[dichloro-(4,4-dimethyl-3-oxopentyl)-lambda4-tellanyl]-4,4-dimethylpentan-3-one (CID 15143199) is 1-[dichloro-(4,4-dimethyl-3-oxopentyl)-lambda4-tellanyl]-4,4-dimethylpentan-3-one.
What is the SMILES notation for 1-[dichloro-(4,4-dimethyl-3-oxopentyl)-lambda4-tellanyl]-4,4-dimethylpentan-3-one?
The canonical SMILES for 1-[dichloro-(4,4-dimethyl-3-oxopentyl)-lambda4-tellanyl]-4,4-dimethylpentan-3-one is CC(C)(C)C(=O)CC[Te](Cl)(Cl)CCC(=O)C(C)(C)C.
What is the InChIKey of 1-[dichloro-(4,4-dimethyl-3-oxopentyl)-lambda4-tellanyl]-4,4-dimethylpentan-3-one?
The InChIKey is YGJCCURQNJHKIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26Cl2O2Te/c1-13(2,3)11(17)7-9-19(15,16)10-8-12(18)14(4,5)6/h7-10H2,1-6H3.
What are the key properties of 1-[dichloro-(4,4-dimethyl-3-oxopentyl)-lambda4-tellanyl]-4,4-dimethylpentan-3-one?
1-[dichloro-(4,4-dimethyl-3-oxopentyl)-lambda4-tellanyl]-4,4-dimethylpentan-3-one has a molecular weight of 424.87 g/mol, XLogP of 4.92, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[dichloro-(4,4-dimethyl-3-oxopentyl)-lambda4-tellanyl]-4,4-dimethylpentan-3-one is sourced from PubChem (CID 15143199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).