tris(ethylcyclopentane);gadolinium

C21H42Gd — CID 160752471

IUPACtris(ethylcyclopentane);gadolinium
SMILESCCC1CCCC1.CCC1CCCC1.CCC1CCCC1.[Gd]
InChIInChI=1S/3C7H14.Gd/c3*1-2-7-5-3-4-6-7;/h3*7H,2-6H2,1H3;
InChIKeyJBRPDJBIERUSTO-UHFFFAOYSA-N
MW451.82 g/mol
LogP7.76
Rot. Bonds3

About tris(ethylcyclopentane);gadolinium

tris(ethylcyclopentane);gadolinium (PubChem CID 160752471) has the molecular formula C21H42Gd and a molecular weight of 451.82 g/mol. Its IUPAC name is tris(ethylcyclopentane);gadolinium.

Molecular Properties

Compound Nametris(ethylcyclopentane);gadolinium
PubChem CID160752471
Molecular FormulaC21H42Gd
Molecular Weight451.82 g/mol
Exact Mass452.25
IUPAC Nametris(ethylcyclopentane);gadolinium
SMILESCCC1CCCC1.CCC1CCCC1.CCC1CCCC1.[Gd]
InChIInChI=1S/3C7H14.Gd/c3*1-2-7-5-3-4-6-7;/h3*7H,2-6H2,1H3;
InChIKeyJBRPDJBIERUSTO-UHFFFAOYSA-N
XLogP7.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.82
LogP ≤ 57.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethylcyclopentane;methane
CID 143390575
cyclobutane;cycloheptane;cyclooctane;cyclopentane;ethylcyclohexane
CID 159227929
ethane;bis(ethylcyclopentane)
CID 158911237
chromium;bis(ethylcyclopentane)
CID 91996240
ethylcyclopentane;methanamine
CID 142068671
magnesium;carbanide;bis(ethylcyclopentane)
CID 121233150
carbanide;bis(ethylcyclopentane);tungsten dihydride
CID 164887185
ethylcyclooctane;fluoromethane
CID 174962953
ethylcyclohexane;formonitrile
CID 174889190
ethylcyclobutane;methanamine
CID 175532329
cyclopropane;ethylcyclobutane;propane
CID 142456817
(5S)-5-ethylcyclononan-1-amine
CID 163875041

Frequently Asked Questions

What is the IUPAC name of tris(ethylcyclopentane);gadolinium?
The IUPAC name of tris(ethylcyclopentane);gadolinium (CID 160752471) is tris(ethylcyclopentane);gadolinium.
What is the SMILES notation for tris(ethylcyclopentane);gadolinium?
The canonical SMILES for tris(ethylcyclopentane);gadolinium is CCC1CCCC1.CCC1CCCC1.CCC1CCCC1.[Gd].
What is the InChIKey of tris(ethylcyclopentane);gadolinium?
The InChIKey is JBRPDJBIERUSTO-UHFFFAOYSA-N. The full InChI is InChI=1S/3C7H14.Gd/c3*1-2-7-5-3-4-6-7;/h3*7H,2-6H2,1H3;.
What are the key properties of tris(ethylcyclopentane);gadolinium?
tris(ethylcyclopentane);gadolinium has a molecular weight of 451.82 g/mol, XLogP of 7.76, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris(ethylcyclopentane);gadolinium is sourced from PubChem (CID 160752471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).