magnesium;cyclopenta-1,3-diene;2,3-dimethylcyclopenta-1,3-diene

C12H14Mg — CID 174383038

IUPACmagnesium;cyclopenta-1,3-diene;2,3-dimethylcyclopenta-1,3-diene
SMILESCC1=[C-]CC=C1C.[C-]1=CC=CC1.[Mg+2]
InChIInChI=1S/C7H9.C5H5.Mg/c1-6-4-3-5-7(6)2;1-2-4-5-3-1;/h4H,3H2,1-2H3;1-3H,4H2;/q2*-1;+2
InChIKeyYIXHOIDAQOAWCZ-UHFFFAOYSA-N
MW182.55 g/mol
LogP3.01
Rot. Bonds

About magnesium;cyclopenta-1,3-diene;2,3-dimethylcyclopenta-1,3-diene

magnesium;cyclopenta-1,3-diene;2,3-dimethylcyclopenta-1,3-diene (PubChem CID 174383038) has the molecular formula C12H14Mg and a molecular weight of 182.55 g/mol. Its IUPAC name is magnesium;cyclopenta-1,3-diene;2,3-dimethylcyclopenta-1,3-diene.

Molecular Properties

Compound Namemagnesium;cyclopenta-1,3-diene;2,3-dimethylcyclopenta-1,3-diene
PubChem CID174383038
Molecular FormulaC12H14Mg
Molecular Weight182.55 g/mol
Exact Mass182.09
IUPAC Namemagnesium;cyclopenta-1,3-diene;2,3-dimethylcyclopenta-1,3-diene
SMILESCC1=[C-]CC=C1C.[C-]1=CC=CC1.[Mg+2]
InChIInChI=1S/C7H9.C5H5.Mg/c1-6-4-3-5-7(6)2;1-2-4-5-3-1;/h4H,3H2,1-2H3;1-3H,4H2;/q2*-1;+2
InChIKeyYIXHOIDAQOAWCZ-UHFFFAOYSA-N
XLogP3.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.55
LogP ≤ 53.01
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(2,3-dimethylcyclopenta-1,3-diene);titanium(2+)
CID 175385628
carbanide;2,3-dimethylcyclopenta-1,3-diene;zirconium(4+)
CID 22676373
bis(2,3-dimethylcyclopenta-1,3-diene);hydride;titanium(2+)
CID 173149529
carbanide;bis(2,3-dimethylcyclopenta-1,3-diene);silane;zirconium(2+);dichloride
CID 173161612
carbanide;bis(2,3-dimethylcyclopenta-1,3-diene);silylidenetitanium;dihydrobromide
CID 173280774
strontium bis(cyclopenta-1,3-diene)
CID 14513562
tris(cyclopenta-1,3-diene);gold(3+)
CID 174872260
bis(cyclopenta-1,3-diene);vanadium(2+)
CID 73455747
cyclopenta-1,3-diene;zirconium(4+)
CID 22421333
cesium cyclopenta-1,3-diene
CID 18362255
cyclopenta-1,3-diene;iridium(3+)
CID 19920890
bis(2,3-dimethylcyclopenta-1,3-diene);ethane;silylidenezirconium;dihydrochloride
CID 173008605

Frequently Asked Questions

What is the IUPAC name of magnesium;cyclopenta-1,3-diene;2,3-dimethylcyclopenta-1,3-diene?
The IUPAC name of magnesium;cyclopenta-1,3-diene;2,3-dimethylcyclopenta-1,3-diene (CID 174383038) is magnesium;cyclopenta-1,3-diene;2,3-dimethylcyclopenta-1,3-diene.
What is the SMILES notation for magnesium;cyclopenta-1,3-diene;2,3-dimethylcyclopenta-1,3-diene?
The canonical SMILES for magnesium;cyclopenta-1,3-diene;2,3-dimethylcyclopenta-1,3-diene is CC1=[C-]CC=C1C.[C-]1=CC=CC1.[Mg+2].
What is the InChIKey of magnesium;cyclopenta-1,3-diene;2,3-dimethylcyclopenta-1,3-diene?
The InChIKey is YIXHOIDAQOAWCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9.C5H5.Mg/c1-6-4-3-5-7(6)2;1-2-4-5-3-1;/h4H,3H2,1-2H3;1-3H,4H2;/q2*-1;+2.
What are the key properties of magnesium;cyclopenta-1,3-diene;2,3-dimethylcyclopenta-1,3-diene?
magnesium;cyclopenta-1,3-diene;2,3-dimethylcyclopenta-1,3-diene has a molecular weight of 182.55 g/mol, XLogP of 3.01, 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;2,3-dimethylcyclopenta-1,3-diene is sourced from PubChem (CID 174383038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).