magnesium bis(2,5-dibutylcyclopenta-1,3-diene)

C26H42Mg — CID 169222882

IUPACmagnesium bis(2,5-dibutylcyclopenta-1,3-diene)
SMILESCCCCc1cc[c-](CCCC)c1.CCCCc1cc[c-](CCCC)c1.[Mg+2]
InChIInChI=1S/2C13H21.Mg/c2*1-3-5-7-12-9-10-13(11-12)8-6-4-2;/h2*9-11H,3-8H2,1-2H3;/q2*-1;+2
InChIKeyHVGYRXZUOWJWSB-UHFFFAOYSA-N
MW378.93 g/mol
LogP7.80
Rot. Bonds12

About magnesium bis(2,5-dibutylcyclopenta-1,3-diene)

magnesium bis(2,5-dibutylcyclopenta-1,3-diene) (PubChem CID 169222882) has the molecular formula C26H42Mg and a molecular weight of 378.93 g/mol. Its IUPAC name is magnesium bis(2,5-dibutylcyclopenta-1,3-diene).

Molecular Properties

Compound Namemagnesium bis(2,5-dibutylcyclopenta-1,3-diene)
PubChem CID169222882
Molecular FormulaC26H42Mg
Molecular Weight378.93 g/mol
Exact Mass378.31
IUPAC Namemagnesium bis(2,5-dibutylcyclopenta-1,3-diene)
SMILESCCCCc1cc[c-](CCCC)c1.CCCCc1cc[c-](CCCC)c1.[Mg+2]
InChIInChI=1S/2C13H21.Mg/c2*1-3-5-7-12-9-10-13(11-12)8-6-4-2;/h2*9-11H,3-8H2,1-2H3;/q2*-1;+2
InChIKeyHVGYRXZUOWJWSB-UHFFFAOYSA-N
XLogP7.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.93
LogP ≤ 57.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze magnesium bis(2,5-dibutylcyclopenta-1,3-diene) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis(2,5-dibutylcyclopenta-1,3-diene);zirconium(2+)
CID 154068385
2,5-dipentylcyclopenta-1,3-diene;iron(2+);1,2,3,4,5-pentapentylcyclopenta-1,3-diene
CID 158268933
bis(2-butyl-5-methylcyclopenta-1,3-diene);vanadium(2+)
CID 154047489
bis(5-butyl-2-methylcyclopenta-1,3-diene);zirconium(2+)
CID 154068384
bis(5-butyl-2-methylcyclopenta-1,3-diene);zirconium(4+);dichloride
CID 52987681
2,5-dipropylcyclopenta-1,3-diene;1,3-dipropylcyclopentane;iron
CID 173240829
4-butyl-1-methylpyridin-1-ium fluoride
CID 171569947
4-butylphosphinine
CID 141455009
1-butyl-4-[(4-butylphenyl)methyl]benzene
CID 57156341
1,4-bis[(4-butylphenyl)methyl]benzene
CID 58021495
1-butyl-4-nonylbenzene
CID 59545302
(3-butylcyclopenta-2,4-dien-1-yl)-diethyl-phenylsilane;titanium(4+);trichloride
CID 173384658

Frequently Asked Questions

What is the IUPAC name of magnesium bis(2,5-dibutylcyclopenta-1,3-diene)?
The IUPAC name of magnesium bis(2,5-dibutylcyclopenta-1,3-diene) (CID 169222882) is magnesium bis(2,5-dibutylcyclopenta-1,3-diene).
What is the SMILES notation for magnesium bis(2,5-dibutylcyclopenta-1,3-diene)?
The canonical SMILES for magnesium bis(2,5-dibutylcyclopenta-1,3-diene) is CCCCc1cc[c-](CCCC)c1.CCCCc1cc[c-](CCCC)c1.[Mg+2].
What is the InChIKey of magnesium bis(2,5-dibutylcyclopenta-1,3-diene)?
The InChIKey is HVGYRXZUOWJWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H21.Mg/c2*1-3-5-7-12-9-10-13(11-12)8-6-4-2;/h2*9-11H,3-8H2,1-2H3;/q2*-1;+2.
What are the key properties of magnesium bis(2,5-dibutylcyclopenta-1,3-diene)?
magnesium bis(2,5-dibutylcyclopenta-1,3-diene) has a molecular weight of 378.93 g/mol, XLogP of 7.80, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium bis(2,5-dibutylcyclopenta-1,3-diene) is sourced from PubChem (CID 169222882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).