pentoxythallium

C5H11OTl — CID 174454480

IUPACpentoxythallium
SMILESCCCCCO[Tl]
InChIInChI=1S/C5H11O.Tl/c1-2-3-4-5-6;/h2-5H2,1H3;/q-1;+1
InChIKeyWQNAHDJCQAOUKC-UHFFFAOYSA-N
MW291.53 g/mol
LogP1.28
Rot. Bonds4

About pentoxythallium

pentoxythallium (PubChem CID 174454480) has the molecular formula C5H11OTl and a molecular weight of 291.53 g/mol. Its IUPAC name is pentoxythallium.

Molecular Properties

Compound Namepentoxythallium
PubChem CID174454480
Molecular FormulaC5H11OTl
Molecular Weight291.53 g/mol
Exact Mass292.06
IUPAC Namepentoxythallium
SMILESCCCCCO[Tl]
InChIInChI=1S/C5H11O.Tl/c1-2-3-4-5-6;/h2-5H2,1H3;/q-1;+1
InChIKeyWQNAHDJCQAOUKC-UHFFFAOYSA-N
XLogP1.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.53
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-sulfanyloxypentane
CID 87932932
1-sulfanyloxyoctane
CID 131981999
CID 154068048
CID 154068048
1-heptacosoxyheptacosane
CID 57287180
1-(6-octadecoxyhexoxy)octadecane
CID 139884769
1-decoxydocosane
CID 87077677
pentoxyphosphanium
CID 151109139
dodecylmercury;hydrate
CID 78070234
1-dodecoxyhexadecane
CID 22256973
1-heptoxydocosane
CID 91692957
1-(6-pentadecoxyhexoxy)pentadecane
CID 139884766
1-octylperoxynonane
CID 151564626

Frequently Asked Questions

What is the IUPAC name of pentoxythallium?
The IUPAC name of pentoxythallium (CID 174454480) is pentoxythallium.
What is the SMILES notation for pentoxythallium?
The canonical SMILES for pentoxythallium is CCCCCO[Tl].
What is the InChIKey of pentoxythallium?
The InChIKey is WQNAHDJCQAOUKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11O.Tl/c1-2-3-4-5-6;/h2-5H2,1H3;/q-1;+1.
What are the key properties of pentoxythallium?
pentoxythallium has a molecular weight of 291.53 g/mol, XLogP of 1.28, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pentoxythallium is sourced from PubChem (CID 174454480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).