tributoxythallane

C12H27O3Tl — CID 90474672

IUPACtributoxythallane
SMILESCCCCO[Tl](OCCCC)OCCCC
InChIInChI=1S/3C4H9O.Tl/c3*1-2-3-4-5;/h3*2-4H2,1H3;/q3*-1;+3
InChIKeyIEEVWHJPZUASPC-UHFFFAOYSA-N
MW423.73 g/mol
LogP3.42
Rot. Bonds12

About tributoxythallane

tributoxythallane (PubChem CID 90474672) has the molecular formula C12H27O3Tl and a molecular weight of 423.73 g/mol. Its IUPAC name is tributoxythallane.

Molecular Properties

Compound Nametributoxythallane
PubChem CID90474672
Molecular FormulaC12H27O3Tl
Molecular Weight423.73 g/mol
Exact Mass424.17
IUPAC Nametributoxythallane
SMILESCCCCO[Tl](OCCCC)OCCCC
InChIInChI=1S/3C4H9O.Tl/c3*1-2-3-4-5;/h3*2-4H2,1H3;/q3*-1;+3
InChIKeyIEEVWHJPZUASPC-UHFFFAOYSA-N
XLogP3.42
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.73
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Aluminum butylate
CID 6451513
Tributyl borate
CID 12712
Dibutyl peroxide
CID 77458
Butyl sulfite
CID 69384
Aluminum tributoxide, 95%
CID 16684880
1-(Butoxydisulfanyl)oxybutane
CID 14251686
1-Butanol, antimony(3+) salt (3:1)
CID 102217
Lead dibutanolate
CID 6455035
Antimony(III) propoxide
CID 16685265
1-Butanol, magnesium salt (2:1)
CID 167494
Antimony(III)butoxide
CID 16693615
Tributyl borate-10B
CID 16212785

Frequently Asked Questions

What is the IUPAC name of tributoxythallane?
The IUPAC name of tributoxythallane (CID 90474672) is tributoxythallane.
What is the SMILES notation for tributoxythallane?
The canonical SMILES for tributoxythallane is CCCCO[Tl](OCCCC)OCCCC.
What is the InChIKey of tributoxythallane?
The InChIKey is IEEVWHJPZUASPC-UHFFFAOYSA-N. The full InChI is InChI=1S/3C4H9O.Tl/c3*1-2-3-4-5;/h3*2-4H2,1H3;/q3*-1;+3.
What are the key properties of tributoxythallane?
tributoxythallane has a molecular weight of 423.73 g/mol, XLogP of 3.42, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tributoxythallane is sourced from PubChem (CID 90474672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).