(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)thallium

C10H15Tl — CID 19933625

IUPAC(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)thallium
SMILESCC1=C(C)C(C)(C)C([Tl])=C1C
InChIInChI=1S/C10H15.Tl/c1-7-6-10(4,5)9(3)8(7)2;/h1-5H3;
InChIKeyRPNIFYSSJFUXIS-UHFFFAOYSA-N
MW339.61 g/mol
LogP2.81
Rot. Bonds

About (2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)thallium

(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)thallium (PubChem CID 19933625) has the molecular formula C10H15Tl and a molecular weight of 339.61 g/mol. Its IUPAC name is (2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)thallium.

Molecular Properties

Compound Name(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)thallium
PubChem CID19933625
Molecular FormulaC10H15Tl
Molecular Weight339.61 g/mol
Exact Mass340.09
IUPAC Name(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)thallium
SMILESCC1=C(C)C(C)(C)C([Tl])=C1C
InChIInChI=1S/C10H15.Tl/c1-7-6-10(4,5)9(3)8(7)2;/h1-5H3;
InChIKeyRPNIFYSSJFUXIS-UHFFFAOYSA-N
XLogP2.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.61
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)thallium?
The IUPAC name of (2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)thallium (CID 19933625) is (2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)thallium.
What is the SMILES notation for (2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)thallium?
The canonical SMILES for (2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)thallium is CC1=C(C)C(C)(C)C([Tl])=C1C.
What is the InChIKey of (2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)thallium?
The InChIKey is RPNIFYSSJFUXIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15.Tl/c1-7-6-10(4,5)9(3)8(7)2;/h1-5H3;.
What are the key properties of (2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)thallium?
(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)thallium has a molecular weight of 339.61 g/mol, XLogP of 2.81, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)thallium is sourced from PubChem (CID 19933625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).