1,5-ditert-butylcyclopenta-1,3-diene;manganese

C13H21Mn- — CID 154410270

IUPAC1,5-ditert-butylcyclopenta-1,3-diene;manganese
SMILESCC(C)(C)c1ccc[c-]1C(C)(C)C.[Mn]
InChIInChI=1S/C13H21.Mn/c1-12(2,3)10-8-7-9-11(10)13(4,5)6;/h7-9H,1-6H3;/q-1;
InChIKeyBYJIRMBKXAPCMH-UHFFFAOYSA-N
MW232.25 g/mol
LogP4.00
Rot. Bonds

About 1,5-ditert-butylcyclopenta-1,3-diene;manganese

1,5-ditert-butylcyclopenta-1,3-diene;manganese (PubChem CID 154410270) has the molecular formula C13H21Mn- and a molecular weight of 232.25 g/mol. Its IUPAC name is 1,5-ditert-butylcyclopenta-1,3-diene;manganese.

Molecular Properties

Compound Name1,5-ditert-butylcyclopenta-1,3-diene;manganese
PubChem CID154410270
Molecular FormulaC13H21Mn-
Molecular Weight232.25 g/mol
Exact Mass232.10
IUPAC Name1,5-ditert-butylcyclopenta-1,3-diene;manganese
SMILESCC(C)(C)c1ccc[c-]1C(C)(C)C.[Mn]
InChIInChI=1S/C13H21.Mn/c1-12(2,3)10-8-7-9-11(10)13(4,5)6;/h7-9H,1-6H3;/q-1;
InChIKeyBYJIRMBKXAPCMH-UHFFFAOYSA-N
XLogP4.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 54.00
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 1,5-ditert-butylcyclopenta-1,3-diene;manganese?
The IUPAC name of 1,5-ditert-butylcyclopenta-1,3-diene;manganese (CID 154410270) is 1,5-ditert-butylcyclopenta-1,3-diene;manganese.
What is the SMILES notation for 1,5-ditert-butylcyclopenta-1,3-diene;manganese?
The canonical SMILES for 1,5-ditert-butylcyclopenta-1,3-diene;manganese is CC(C)(C)c1ccc[c-]1C(C)(C)C.[Mn].
What is the InChIKey of 1,5-ditert-butylcyclopenta-1,3-diene;manganese?
The InChIKey is BYJIRMBKXAPCMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21.Mn/c1-12(2,3)10-8-7-9-11(10)13(4,5)6;/h7-9H,1-6H3;/q-1;.
What are the key properties of 1,5-ditert-butylcyclopenta-1,3-diene;manganese?
1,5-ditert-butylcyclopenta-1,3-diene;manganese has a molecular weight of 232.25 g/mol, XLogP of 4.00, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-ditert-butylcyclopenta-1,3-diene;manganese is sourced from PubChem (CID 154410270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).