bis(cyclopentane);methanol;zirconium(3+)

C11H23OZr+2 — CID 23230165

IUPACbis(cyclopentane);methanol;zirconium(3+)
SMILESC1CCCC1.C1CCCC1.[CH2-]O.[Zr+3]
InChIInChI=1S/2C5H10.CH3O.Zr/c2*1-2-4-5-3-1;1-2;/h2*1-5H2;2H,1H2;/q;;-1;+3
InChIKeyRWMWCLKJRGTKHB-UHFFFAOYSA-N
MW262.53 g/mol
LogP4.05
Rot. Bonds

About bis(cyclopentane);methanol;zirconium(3+)

bis(cyclopentane);methanol;zirconium(3+) (PubChem CID 23230165) has the molecular formula C11H23OZr+2 and a molecular weight of 262.53 g/mol. Its IUPAC name is bis(cyclopentane);methanol;zirconium(3+).

Molecular Properties

Compound Namebis(cyclopentane);methanol;zirconium(3+)
PubChem CID23230165
Molecular FormulaC11H23OZr+2
Molecular Weight262.53 g/mol
Exact Mass261.08
IUPAC Namebis(cyclopentane);methanol;zirconium(3+)
SMILESC1CCCC1.C1CCCC1.[CH2-]O.[Zr+3]
InChIInChI=1S/2C5H10.CH3O.Zr/c2*1-2-4-5-3-1;1-2;/h2*1-5H2;2H,1H2;/q;;-1;+3
InChIKeyRWMWCLKJRGTKHB-UHFFFAOYSA-N
XLogP4.05
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.53
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

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cyclooctane
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cycloheptane;cyclopropane
CID 165090184
cyclodotriacontane;methanol
CID 159486487
cyclohexatriacontane;methanol
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bis(cyclopentane);methanol
CID 160954606
CID 138560563
CID 138560563
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CID 174712224

Frequently Asked Questions

What is the IUPAC name of bis(cyclopentane);methanol;zirconium(3+)?
The IUPAC name of bis(cyclopentane);methanol;zirconium(3+) (CID 23230165) is bis(cyclopentane);methanol;zirconium(3+).
What is the SMILES notation for bis(cyclopentane);methanol;zirconium(3+)?
The canonical SMILES for bis(cyclopentane);methanol;zirconium(3+) is C1CCCC1.C1CCCC1.[CH2-]O.[Zr+3].
What is the InChIKey of bis(cyclopentane);methanol;zirconium(3+)?
The InChIKey is RWMWCLKJRGTKHB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H10.CH3O.Zr/c2*1-2-4-5-3-1;1-2;/h2*1-5H2;2H,1H2;/q;;-1;+3.
What are the key properties of bis(cyclopentane);methanol;zirconium(3+)?
bis(cyclopentane);methanol;zirconium(3+) has a molecular weight of 262.53 g/mol, XLogP of 4.05, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(cyclopentane);methanol;zirconium(3+) is sourced from PubChem (CID 23230165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).