manganese(2+);bis(2-propan-2-ylcyclopenta-1,3-diene)

C16H22Mn — CID 68843946

IUPACmanganese(2+);bis(2-propan-2-ylcyclopenta-1,3-diene)
SMILESCC(C)C1=[C-]CC=C1.CC(C)C1=[C-]CC=C1.[Mn+2]
InChIInChI=1S/2C8H11.Mn/c2*1-7(2)8-5-3-4-6-8;/h2*3,5,7H,4H2,1-2H3;/q2*-1;+2
InChIKeyGPEICPBNERHSCM-UHFFFAOYSA-N
MW269.29 g/mol
LogP4.66
Rot. Bonds2

About manganese(2+);bis(2-propan-2-ylcyclopenta-1,3-diene)

manganese(2+);bis(2-propan-2-ylcyclopenta-1,3-diene) (PubChem CID 68843946) has the molecular formula C16H22Mn and a molecular weight of 269.29 g/mol. Its IUPAC name is manganese(2+);bis(2-propan-2-ylcyclopenta-1,3-diene).

Molecular Properties

Compound Namemanganese(2+);bis(2-propan-2-ylcyclopenta-1,3-diene)
PubChem CID68843946
Molecular FormulaC16H22Mn
Molecular Weight269.29 g/mol
Exact Mass269.11
IUPAC Namemanganese(2+);bis(2-propan-2-ylcyclopenta-1,3-diene)
SMILESCC(C)C1=[C-]CC=C1.CC(C)C1=[C-]CC=C1.[Mn+2]
InChIInChI=1S/2C8H11.Mn/c2*1-7(2)8-5-3-4-6-8;/h2*3,5,7H,4H2,1-2H3;/q2*-1;+2
InChIKeyGPEICPBNERHSCM-UHFFFAOYSA-N
XLogP4.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.29
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of manganese(2+);bis(2-propan-2-ylcyclopenta-1,3-diene)?
The IUPAC name of manganese(2+);bis(2-propan-2-ylcyclopenta-1,3-diene) (CID 68843946) is manganese(2+);bis(2-propan-2-ylcyclopenta-1,3-diene).
What is the SMILES notation for manganese(2+);bis(2-propan-2-ylcyclopenta-1,3-diene)?
The canonical SMILES for manganese(2+);bis(2-propan-2-ylcyclopenta-1,3-diene) is CC(C)C1=[C-]CC=C1.CC(C)C1=[C-]CC=C1.[Mn+2].
What is the InChIKey of manganese(2+);bis(2-propan-2-ylcyclopenta-1,3-diene)?
The InChIKey is GPEICPBNERHSCM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H11.Mn/c2*1-7(2)8-5-3-4-6-8;/h2*3,5,7H,4H2,1-2H3;/q2*-1;+2.
What are the key properties of manganese(2+);bis(2-propan-2-ylcyclopenta-1,3-diene)?
manganese(2+);bis(2-propan-2-ylcyclopenta-1,3-diene) has a molecular weight of 269.29 g/mol, XLogP of 4.66, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for manganese(2+);bis(2-propan-2-ylcyclopenta-1,3-diene) is sourced from PubChem (CID 68843946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).