Tris(methylcyclopentadienyl)erbium

C18H21Er — CID 102601175

IUPAC—
SMILESCC1=CC=C[CH]1.CC1=CC=C[CH]1.CC1=CC=C[CH]1.[Er]
InChIInChI=1S/3C6H7.Er/c3*1-6-4-2-3-5-6;/h3*2-5H,1H3;
InChIKeyLXVGPBHPQYZACE-UHFFFAOYSA-N
MW404.63 g/mol
LogP5.12
Rot. Bonds

About Tris(methylcyclopentadienyl)erbium

Tris(methylcyclopentadienyl)erbium (PubChem CID 102601175) has the molecular formula C18H21Er and a molecular weight of 404.63 g/mol.

Molecular Properties

Compound NameTris(methylcyclopentadienyl)erbium
PubChem CID102601175
Molecular FormulaC18H21Er
Molecular Weight404.63 g/mol
Exact Mass403.09
IUPAC Name—
SMILESCC1=CC=C[CH]1.CC1=CC=C[CH]1.CC1=CC=C[CH]1.[Er]
InChIInChI=1S/3C6H7.Er/c3*1-6-4-2-3-5-6;/h3*2-5H,1H3;
InChIKeyLXVGPBHPQYZACE-UHFFFAOYSA-N
XLogP5.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.63
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Ruthenium(2+) bis(2-ethylcyclopenta-1,3-dien-1-ide)
CID 22138507
Tris(isopropylcyclopentadienyl)terbium
CID 57377114
Yttrium tris(2-methylcyclopenta-1,3-dien-1-ide)
CID 73991964
Terbium(3+) tris[2-(propan-2-yl)cyclopenta-1,3-dien-1-ide]
CID 74765379
Tris(i-propylcyclopentadienyl)praseodymium
CID 121233152
5,7-Diethyl-9-methyl-3E,5E,7E,9E-tridecatetraene
CID 56936067
6,8-Diethyl-4-methyl-3E,5E,7E,9E-dodecatetraene
CID 56936068
Yttrium tris(2-butylcyclopenta-1,3-dien-1-ide)
CID 19362360
Nickel(2+) bis(2-ethylcyclopenta-1,3-dien-1-ide)
CID 22743834
Bis(ethylcyclopentadienyl)manganese(II)
CID 92043704
Magnesium bis(2-propylcyclopenta-1,3-dien-1-ide)
CID 71434149
Tris(isopropylcyclopentadienyl)neodymium(III)
CID 102601427

Frequently Asked Questions

What is the IUPAC name of Tris(methylcyclopentadienyl)erbium?
The IUPAC name of Tris(methylcyclopentadienyl)erbium (CID 102601175) is not available.
What is the SMILES notation for Tris(methylcyclopentadienyl)erbium?
The canonical SMILES for Tris(methylcyclopentadienyl)erbium is CC1=CC=C[CH]1.CC1=CC=C[CH]1.CC1=CC=C[CH]1.[Er].
What is the InChIKey of Tris(methylcyclopentadienyl)erbium?
The InChIKey is LXVGPBHPQYZACE-UHFFFAOYSA-N. The full InChI is InChI=1S/3C6H7.Er/c3*1-6-4-2-3-5-6;/h3*2-5H,1H3;.
What are the key properties of Tris(methylcyclopentadienyl)erbium?
Tris(methylcyclopentadienyl)erbium has a molecular weight of 404.63 g/mol, XLogP of 5.12, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for Tris(methylcyclopentadienyl)erbium is sourced from PubChem (CID 102601175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).