erbium;tris(methylcyclopentane)

C18H36Er — CID 91996115

IUPACerbium;tris(methylcyclopentane)
SMILESCC1CCCC1.CC1CCCC1.CC1CCCC1.[Er]
InChIInChI=1S/3C6H12.Er/c3*1-6-4-2-3-5-6;/h3*6H,2-5H2,1H3;
InChIKeyGSEKSWXACFITKJ-UHFFFAOYSA-N
MW419.75 g/mol
LogP6.59
Rot. Bonds

About erbium;tris(methylcyclopentane)

erbium;tris(methylcyclopentane) (PubChem CID 91996115) has the molecular formula C18H36Er and a molecular weight of 419.75 g/mol. Its IUPAC name is erbium;tris(methylcyclopentane).

Molecular Properties

Compound Nameerbium;tris(methylcyclopentane)
PubChem CID91996115
Molecular FormulaC18H36Er
Molecular Weight419.75 g/mol
Exact Mass418.21
IUPAC Nameerbium;tris(methylcyclopentane)
SMILESCC1CCCC1.CC1CCCC1.CC1CCCC1.[Er]
InChIInChI=1S/3C6H12.Er/c3*1-6-4-2-3-5-6;/h3*6H,2-5H2,1H3;
InChIKeyGSEKSWXACFITKJ-UHFFFAOYSA-N
XLogP6.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.75
LogP ≤ 56.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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ethane;methane;methylcyclohexane;methylcyclopentane
CID 158993326
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CID 174057866

Frequently Asked Questions

What is the IUPAC name of erbium;tris(methylcyclopentane)?
The IUPAC name of erbium;tris(methylcyclopentane) (CID 91996115) is erbium;tris(methylcyclopentane).
What is the SMILES notation for erbium;tris(methylcyclopentane)?
The canonical SMILES for erbium;tris(methylcyclopentane) is CC1CCCC1.CC1CCCC1.CC1CCCC1.[Er].
What is the InChIKey of erbium;tris(methylcyclopentane)?
The InChIKey is GSEKSWXACFITKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C6H12.Er/c3*1-6-4-2-3-5-6;/h3*6H,2-5H2,1H3;.
What are the key properties of erbium;tris(methylcyclopentane)?
erbium;tris(methylcyclopentane) has a molecular weight of 419.75 g/mol, XLogP of 6.59, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for erbium;tris(methylcyclopentane) is sourced from PubChem (CID 91996115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).