butoxythallium

C20H45O5Tl5 — CID 139687622

IUPACbutoxythallium
SMILESCCCCO[Tl].CCCCO[Tl].CCCCO[Tl].CCCCO[Tl].CCCCO[Tl]
InChIInChI=1S/5C4H9O.5Tl/c5*1-2-3-4-5;;;;;/h5*2-4H2,1H3;;;;;/q5*-1;5*+1
InChIKeyBDDKHOGVJHVWFB-UHFFFAOYSA-N
MW1387.49 g/mol
LogP4.43
Rot. Bonds15

About butoxythallium

butoxythallium (PubChem CID 139687622) has the molecular formula C20H45O5Tl5 and a molecular weight of 1387.49 g/mol. Its IUPAC name is butoxythallium.

Molecular Properties

Compound Namebutoxythallium
PubChem CID139687622
Molecular FormulaC20H45O5Tl5
Molecular Weight1387.49 g/mol
Exact Mass1390.20
IUPAC Namebutoxythallium
SMILESCCCCO[Tl].CCCCO[Tl].CCCCO[Tl].CCCCO[Tl].CCCCO[Tl]
InChIInChI=1S/5C4H9O.5Tl/c5*1-2-3-4-5;;;;;/h5*2-4H2,1H3;;;;;/q5*-1;5*+1
InChIKeyBDDKHOGVJHVWFB-UHFFFAOYSA-N
XLogP4.43
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 5001387.49
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

pentoxythallium
CID 174454480
Monobutyl stannane oxide
CID 87106028
1-butylperoxybutane
CID 159275797
bis(butoxytin(3+));tris(oxygen(2-))
CID 173037988
1-butylperoxybutane;hydrate
CID 158567350
pentane;stannane
CID 173279416
CID 87822452
CID 87822452
1-butoxybutane;3-butoxypropan-1-ol
CID 174728954
1-butylperoxybutane;hydrogen peroxide
CID 162033267
1-butoxybutane;methoxymethane
CID 18401298
aluminum;1-butoxybutane;hydride
CID 174684135
decane;ruthenium
CID 160818595

Frequently Asked Questions

What is the IUPAC name of butoxythallium?
The IUPAC name of butoxythallium (CID 139687622) is butoxythallium.
What is the SMILES notation for butoxythallium?
The canonical SMILES for butoxythallium is CCCCO[Tl].CCCCO[Tl].CCCCO[Tl].CCCCO[Tl].CCCCO[Tl].
What is the InChIKey of butoxythallium?
The InChIKey is BDDKHOGVJHVWFB-UHFFFAOYSA-N. The full InChI is InChI=1S/5C4H9O.5Tl/c5*1-2-3-4-5;;;;;/h5*2-4H2,1H3;;;;;/q5*-1;5*+1.
What are the key properties of butoxythallium?
butoxythallium has a molecular weight of 1387.49 g/mol, XLogP of 4.43, 15 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butoxythallium is sourced from PubChem (CID 139687622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).