cycloheptanecarboxylate;thallium(1+)

C8H13O2Tl — CID 22604442

IUPACcycloheptanecarboxylate;thallium(1+)
SMILESO=C([O-])C1CCCCCC1.[Tl+]
InChIInChI=1S/C8H14O2.Tl/c9-8(10)7-5-3-1-2-4-6-7;/h7H,1-6H2,(H,9,10);/q;+1/p-1
InChIKeyQQMFQWXVDYMRIW-UHFFFAOYSA-M
MW345.57 g/mol
LogP0.33
Rot. Bonds1

About cycloheptanecarboxylate;thallium(1+)

cycloheptanecarboxylate;thallium(1+) (PubChem CID 22604442) has the molecular formula C8H13O2Tl and a molecular weight of 345.57 g/mol. Its IUPAC name is cycloheptanecarboxylate;thallium(1+).

Molecular Properties

Compound Namecycloheptanecarboxylate;thallium(1+)
PubChem CID22604442
Molecular FormulaC8H13O2Tl
Molecular Weight345.57 g/mol
Exact Mass346.07
IUPAC Namecycloheptanecarboxylate;thallium(1+)
SMILESO=C([O-])C1CCCCCC1.[Tl+]
InChIInChI=1S/C8H14O2.Tl/c9-8(10)7-5-3-1-2-4-6-7;/h7H,1-6H2,(H,9,10);/q;+1/p-1
InChIKeyQQMFQWXVDYMRIW-UHFFFAOYSA-M
XLogP0.33
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.57
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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tris(cyclohexanecarboxylate);neodymium(3+)
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bis(cyclohexanecarboxylate);indium(3+);chloride
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azanium cyclobutanecarboxylate
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sodium 4-hydroxycyclododecane-1-carboxylate
CID 23699033
trisodium;cyclopropanecarboxylate
CID 141381064
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CID 23229980
cyclopentanecarboxylate;tris(2-hydroxyethyl)azanium
CID 158170706
calcium cyclohexane-1,3-dicarboxylate
CID 140879538
dicyclohexylmethanone;formaldehyde
CID 175300134
2,2-dichloro-1-cycloheptylethanone
CID 45081064

Frequently Asked Questions

What is the IUPAC name of cycloheptanecarboxylate;thallium(1+)?
The IUPAC name of cycloheptanecarboxylate;thallium(1+) (CID 22604442) is cycloheptanecarboxylate;thallium(1+).
What is the SMILES notation for cycloheptanecarboxylate;thallium(1+)?
The canonical SMILES for cycloheptanecarboxylate;thallium(1+) is O=C([O-])C1CCCCCC1.[Tl+].
What is the InChIKey of cycloheptanecarboxylate;thallium(1+)?
The InChIKey is QQMFQWXVDYMRIW-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H14O2.Tl/c9-8(10)7-5-3-1-2-4-6-7;/h7H,1-6H2,(H,9,10);/q;+1/p-1.
What are the key properties of cycloheptanecarboxylate;thallium(1+)?
cycloheptanecarboxylate;thallium(1+) has a molecular weight of 345.57 g/mol, XLogP of 0.33, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cycloheptanecarboxylate;thallium(1+) is sourced from PubChem (CID 22604442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).