magnesium bis(5-butyl-1-tert-butylcyclopenta-1,3-diene)

C26H42Mg — CID 169222856

IUPACmagnesium bis(5-butyl-1-tert-butylcyclopenta-1,3-diene)
SMILESCCCC[c-]1cccc1C(C)(C)C.CCCC[c-]1cccc1C(C)(C)C.[Mg+2]
InChIInChI=1S/2C13H21.Mg/c2*1-5-6-8-11-9-7-10-12(11)13(2,3)4;/h2*7,9-10H,5-6,8H2,1-4H3;/q2*-1;+2
InChIKeyFGNPAFWTUIKIBO-UHFFFAOYSA-N
MW378.93 g/mol
LogP7.71
Rot. Bonds6

About magnesium bis(5-butyl-1-tert-butylcyclopenta-1,3-diene)

magnesium bis(5-butyl-1-tert-butylcyclopenta-1,3-diene) (PubChem CID 169222856) has the molecular formula C26H42Mg and a molecular weight of 378.93 g/mol. Its IUPAC name is magnesium bis(5-butyl-1-tert-butylcyclopenta-1,3-diene).

Molecular Properties

Compound Namemagnesium bis(5-butyl-1-tert-butylcyclopenta-1,3-diene)
PubChem CID169222856
Molecular FormulaC26H42Mg
Molecular Weight378.93 g/mol
Exact Mass378.31
IUPAC Namemagnesium bis(5-butyl-1-tert-butylcyclopenta-1,3-diene)
SMILESCCCC[c-]1cccc1C(C)(C)C.CCCC[c-]1cccc1C(C)(C)C.[Mg+2]
InChIInChI=1S/2C13H21.Mg/c2*1-5-6-8-11-9-7-10-12(11)13(2,3)4;/h2*7,9-10H,5-6,8H2,1-4H3;/q2*-1;+2
InChIKeyFGNPAFWTUIKIBO-UHFFFAOYSA-N
XLogP7.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.93
LogP ≤ 57.71
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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Related Compounds

cyclopentane;1,5-dibutylcyclopenta-1,3-diene;iron
CID 173322079
1,5-dibutylcyclopenta-1,3-diene;1,5-dimethylcyclopenta-1,3-diene;zirconium(2+)
CID 154064625
1-butylinden-1-ide;carbanide;hafnium
CID 175086172
1,5-ditert-butylcyclopenta-1,3-diene;manganese
CID 154410270
cyclopentane;1,5-dihexylcyclopenta-1,3-diene;iron
CID 173056293
tert-butylbenzene;hexane
CID 175254424
5-butylcyclopenta-1,3-diene;zirconium(3+);difluoride
CID 158815990
CID 172746450
CID 172746450
1-butyl-5-decylcyclopenta-1,3-diene;cyclopenta-1,3-diene;iron(2+)
CID 153281106
N-heptylaniline;hydrate
CID 174886464
magnesium bis(2,5-dibutylcyclopenta-1,3-diene)
CID 169222882
5-butyl-1-methylcyclopenta-1,3-diene;1H-inden-1-id-2-yl(dimethyl)phosphane;titanium(4+);dichloride
CID 159337027

Frequently Asked Questions

What is the IUPAC name of magnesium bis(5-butyl-1-tert-butylcyclopenta-1,3-diene)?
The IUPAC name of magnesium bis(5-butyl-1-tert-butylcyclopenta-1,3-diene) (CID 169222856) is magnesium bis(5-butyl-1-tert-butylcyclopenta-1,3-diene).
What is the SMILES notation for magnesium bis(5-butyl-1-tert-butylcyclopenta-1,3-diene)?
The canonical SMILES for magnesium bis(5-butyl-1-tert-butylcyclopenta-1,3-diene) is CCCC[c-]1cccc1C(C)(C)C.CCCC[c-]1cccc1C(C)(C)C.[Mg+2].
What is the InChIKey of magnesium bis(5-butyl-1-tert-butylcyclopenta-1,3-diene)?
The InChIKey is FGNPAFWTUIKIBO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H21.Mg/c2*1-5-6-8-11-9-7-10-12(11)13(2,3)4;/h2*7,9-10H,5-6,8H2,1-4H3;/q2*-1;+2.
What are the key properties of magnesium bis(5-butyl-1-tert-butylcyclopenta-1,3-diene)?
magnesium bis(5-butyl-1-tert-butylcyclopenta-1,3-diene) has a molecular weight of 378.93 g/mol, XLogP of 7.71, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium bis(5-butyl-1-tert-butylcyclopenta-1,3-diene) is sourced from PubChem (CID 169222856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).