magnesium;cyclopenta-1,3-diene;propane

C8H12Mg — CID 140515591

IUPACmagnesium;cyclopenta-1,3-diene;propane
SMILES[C-]1=CC=CC1.[CH2-]CC.[Mg+2]
InChIInChI=1S/C5H5.C3H7.Mg/c1-2-4-5-3-1;1-3-2;/h1-3H,4H2;1,3H2,2H3;/q2*-1;+2
InChIKeyAXNOMWAYOVRKEH-UHFFFAOYSA-N
MW132.49 g/mol
LogP2.16
Rot. Bonds

About magnesium;cyclopenta-1,3-diene;propane

magnesium;cyclopenta-1,3-diene;propane (PubChem CID 140515591) has the molecular formula C8H12Mg and a molecular weight of 132.49 g/mol. Its IUPAC name is magnesium;cyclopenta-1,3-diene;propane.

Molecular Properties

Compound Namemagnesium;cyclopenta-1,3-diene;propane
PubChem CID140515591
Molecular FormulaC8H12Mg
Molecular Weight132.49 g/mol
Exact Mass132.08
IUPAC Namemagnesium;cyclopenta-1,3-diene;propane
SMILES[C-]1=CC=CC1.[CH2-]CC.[Mg+2]
InChIInChI=1S/C5H5.C3H7.Mg/c1-2-4-5-3-1;1-3-2;/h1-3H,4H2;1,3H2,2H3;/q2*-1;+2
InChIKeyAXNOMWAYOVRKEH-UHFFFAOYSA-N
XLogP2.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.49
LogP ≤ 52.16
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

bis(cyclopenta-1,3-diene);propane;titanium(4+)
CID 21256119
cyclopenta-1,3-diene;platinum;propane
CID 175387408
butane;bis(cyclopenta-1,3-diene);iron(3+)
CID 19900891
butane;carbanide;cyclopenta-1,3-diene;manganese(3+)
CID 174921078
butane;cyclopenta-1,3-diene;hafnium;trihydrochloride
CID 173097750
butane;cyclopenta-1,3-diene;zirconium(2+);dichloride
CID 87301075
chloromethane;cyclopenta-1,3-diene;tungsten(2+)
CID 175390144
butane;bis(cyclopenta-1,3-diene);zirconium(2+);dichloride
CID 87126430
cyclopenta-1,3-diene;ethane;vanadium;trichloride
CID 173025504
cyclopenta-1,3-diene;ethane;titanium(4+);chloride
CID 87905661
butane;bis(cyclopenta-1,3-diene);2-methylpropane;bis(zirconium(2+));hexahydrochloride
CID 175602959
bis(cyclopenta-1,3-diene);vanadium(2+)
CID 73455747

Frequently Asked Questions

What is the IUPAC name of magnesium;cyclopenta-1,3-diene;propane?
The IUPAC name of magnesium;cyclopenta-1,3-diene;propane (CID 140515591) is magnesium;cyclopenta-1,3-diene;propane.
What is the SMILES notation for magnesium;cyclopenta-1,3-diene;propane?
The canonical SMILES for magnesium;cyclopenta-1,3-diene;propane is [C-]1=CC=CC1.[CH2-]CC.[Mg+2].
What is the InChIKey of magnesium;cyclopenta-1,3-diene;propane?
The InChIKey is AXNOMWAYOVRKEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5.C3H7.Mg/c1-2-4-5-3-1;1-3-2;/h1-3H,4H2;1,3H2,2H3;/q2*-1;+2.
What are the key properties of magnesium;cyclopenta-1,3-diene;propane?
magnesium;cyclopenta-1,3-diene;propane has a molecular weight of 132.49 g/mol, XLogP of 2.16, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;cyclopenta-1,3-diene;propane is sourced from PubChem (CID 140515591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).