strontium bis(2,5-ditert-butyl-1,3-dihydropyrrol-3-ide)

C24H40N2Sr — CID 87383856

IUPACstrontium bis(2,5-ditert-butyl-1,3-dihydropyrrol-3-ide)
SMILESCC(C)(C)c1[c-]cc(C(C)(C)C)[nH]1.CC(C)(C)c1[c-]cc(C(C)(C)C)[nH]1.[Sr+2]
InChIInChI=1S/2C12H20N.Sr/c2*1-11(2,3)9-7-8-10(13-9)12(4,5)6;/h2*7,13H,1-6H3;/q2*-1;+2
InChIKeyNWHQHVKNGHNRKB-UHFFFAOYSA-N
MW444.22 g/mol
LogP6.44
Rot. Bonds

About strontium bis(2,5-ditert-butyl-1,3-dihydropyrrol-3-ide)

strontium bis(2,5-ditert-butyl-1,3-dihydropyrrol-3-ide) (PubChem CID 87383856) has the molecular formula C24H40N2Sr and a molecular weight of 444.22 g/mol. Its IUPAC name is strontium bis(2,5-ditert-butyl-1,3-dihydropyrrol-3-ide).

Molecular Properties

Compound Namestrontium bis(2,5-ditert-butyl-1,3-dihydropyrrol-3-ide)
PubChem CID87383856
Molecular FormulaC24H40N2Sr
Molecular Weight444.22 g/mol
Exact Mass444.22
IUPAC Namestrontium bis(2,5-ditert-butyl-1,3-dihydropyrrol-3-ide)
SMILESCC(C)(C)c1[c-]cc(C(C)(C)C)[nH]1.CC(C)(C)c1[c-]cc(C(C)(C)C)[nH]1.[Sr+2]
InChIInChI=1S/2C12H20N.Sr/c2*1-11(2,3)9-7-8-10(13-9)12(4,5)6;/h2*7,13H,1-6H3;/q2*-1;+2
InChIKeyNWHQHVKNGHNRKB-UHFFFAOYSA-N
XLogP6.44
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.22
LogP ≤ 56.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

CID 87312091
CID 87312091
CID 87383783
CID 87383783
CID 87609760
CID 87609760
CID 88303484
CID 88303484
CID 88304466
CID 88304466
CID 88319060
CID 88319060
CID 89396166
CID 89396166
CID 89396225
CID 89396225
CID 89396281
CID 89396281
CID 89396361
CID 89396361
CID 89396387
CID 89396387
CID 89396488
CID 89396488

Frequently Asked Questions

What is the IUPAC name of strontium bis(2,5-ditert-butyl-1,3-dihydropyrrol-3-ide)?
The IUPAC name of strontium bis(2,5-ditert-butyl-1,3-dihydropyrrol-3-ide) (CID 87383856) is strontium bis(2,5-ditert-butyl-1,3-dihydropyrrol-3-ide).
What is the SMILES notation for strontium bis(2,5-ditert-butyl-1,3-dihydropyrrol-3-ide)?
The canonical SMILES for strontium bis(2,5-ditert-butyl-1,3-dihydropyrrol-3-ide) is CC(C)(C)c1[c-]cc(C(C)(C)C)[nH]1.CC(C)(C)c1[c-]cc(C(C)(C)C)[nH]1.[Sr+2].
What is the InChIKey of strontium bis(2,5-ditert-butyl-1,3-dihydropyrrol-3-ide)?
The InChIKey is NWHQHVKNGHNRKB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H20N.Sr/c2*1-11(2,3)9-7-8-10(13-9)12(4,5)6;/h2*7,13H,1-6H3;/q2*-1;+2.
What are the key properties of strontium bis(2,5-ditert-butyl-1,3-dihydropyrrol-3-ide)?
strontium bis(2,5-ditert-butyl-1,3-dihydropyrrol-3-ide) has a molecular weight of 444.22 g/mol, XLogP of 6.44, 0 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for strontium bis(2,5-ditert-butyl-1,3-dihydropyrrol-3-ide) is sourced from PubChem (CID 87383856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).