magnesium bis(2-butan-2-yl-5-propan-2-ylcyclopenta-1,3-diene)

C24H38Mg — CID 169222878

IUPACmagnesium bis(2-butan-2-yl-5-propan-2-ylcyclopenta-1,3-diene)
SMILESCCC(C)c1cc[c-](C(C)C)c1.CCC(C)c1cc[c-](C(C)C)c1.[Mg+2]
InChIInChI=1S/2C12H19.Mg/c2*1-5-10(4)12-7-6-11(8-12)9(2)3;/h2*6-10H,5H2,1-4H3;/q2*-1;+2
InChIKeyPXDLEBZZMGBYRG-UHFFFAOYSA-N
MW350.87 g/mol
LogP7.70
Rot. Bonds6

About magnesium bis(2-butan-2-yl-5-propan-2-ylcyclopenta-1,3-diene)

magnesium bis(2-butan-2-yl-5-propan-2-ylcyclopenta-1,3-diene) (PubChem CID 169222878) has the molecular formula C24H38Mg and a molecular weight of 350.87 g/mol. Its IUPAC name is magnesium bis(2-butan-2-yl-5-propan-2-ylcyclopenta-1,3-diene).

Molecular Properties

Compound Namemagnesium bis(2-butan-2-yl-5-propan-2-ylcyclopenta-1,3-diene)
PubChem CID169222878
Molecular FormulaC24H38Mg
Molecular Weight350.87 g/mol
Exact Mass350.28
IUPAC Namemagnesium bis(2-butan-2-yl-5-propan-2-ylcyclopenta-1,3-diene)
SMILESCCC(C)c1cc[c-](C(C)C)c1.CCC(C)c1cc[c-](C(C)C)c1.[Mg+2]
InChIInChI=1S/2C12H19.Mg/c2*1-5-10(4)12-7-6-11(8-12)9(2)3;/h2*6-10H,5H2,1-4H3;/q2*-1;+2
InChIKeyPXDLEBZZMGBYRG-UHFFFAOYSA-N
XLogP7.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.87
LogP ≤ 57.70
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

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CID 54391207
1-butan-2-yl-4-chlorobenzene;ethane
CID 91162250
(4-butan-2-ylphenyl)azanium chloride
CID 91157612
1-(4-butan-2-ylphenyl)-2-methylpropan-1-amine
CID 4962685
4-butan-2-yl-N-methylaniline
CID 22675641
1-butan-2-yl-4-methylbenzene;molecular hydrogen;propane
CID 144517328
1-[(2R)-butan-2-yl]-3,5-dimethylbenzene
CID 145157940
1-butan-2-yl-4-octan-4-ylbenzene
CID 123736908
2-amino-3-(4-butan-2-ylphenyl)propanamide
CID 116850831

Frequently Asked Questions

What is the IUPAC name of magnesium bis(2-butan-2-yl-5-propan-2-ylcyclopenta-1,3-diene)?
The IUPAC name of magnesium bis(2-butan-2-yl-5-propan-2-ylcyclopenta-1,3-diene) (CID 169222878) is magnesium bis(2-butan-2-yl-5-propan-2-ylcyclopenta-1,3-diene).
What is the SMILES notation for magnesium bis(2-butan-2-yl-5-propan-2-ylcyclopenta-1,3-diene)?
The canonical SMILES for magnesium bis(2-butan-2-yl-5-propan-2-ylcyclopenta-1,3-diene) is CCC(C)c1cc[c-](C(C)C)c1.CCC(C)c1cc[c-](C(C)C)c1.[Mg+2].
What is the InChIKey of magnesium bis(2-butan-2-yl-5-propan-2-ylcyclopenta-1,3-diene)?
The InChIKey is PXDLEBZZMGBYRG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H19.Mg/c2*1-5-10(4)12-7-6-11(8-12)9(2)3;/h2*6-10H,5H2,1-4H3;/q2*-1;+2.
What are the key properties of magnesium bis(2-butan-2-yl-5-propan-2-ylcyclopenta-1,3-diene)?
magnesium bis(2-butan-2-yl-5-propan-2-ylcyclopenta-1,3-diene) has a molecular weight of 350.87 g/mol, XLogP of 7.70, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium bis(2-butan-2-yl-5-propan-2-ylcyclopenta-1,3-diene) is sourced from PubChem (CID 169222878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).