magnesium;1-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)cyclopenta-1,3-diene;oxolane

C21H30MgO2 — CID 139103933

IUPACmagnesium;1-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)cyclopenta-1,3-diene;oxolane
SMILESC1CCOC1.C1CCOC1.CC(C)(c1ccc[cH-]1)c1ccc[cH-]1.[Mg+2]
InChIInChI=1S/C13H14.2C4H8O.Mg/c1-13(2,11-7-3-4-8-11)12-9-5-6-10-12;2*1-2-4-5-3-1;/h3-10H,1-2H3;2*1-4H2;/q-2;;;+2
InChIKeyAWRBQERZDCKFCP-UHFFFAOYSA-N
MW338.77 g/mol
LogP4.66
Rot. Bonds2

About magnesium;1-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)cyclopenta-1,3-diene;oxolane

magnesium;1-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)cyclopenta-1,3-diene;oxolane (PubChem CID 139103933) has the molecular formula C21H30MgO2 and a molecular weight of 338.77 g/mol. Its IUPAC name is magnesium;1-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)cyclopenta-1,3-diene;oxolane.

Molecular Properties

Compound Namemagnesium;1-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)cyclopenta-1,3-diene;oxolane
PubChem CID139103933
Molecular FormulaC21H30MgO2
Molecular Weight338.77 g/mol
Exact Mass338.21
IUPAC Namemagnesium;1-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)cyclopenta-1,3-diene;oxolane
SMILESC1CCOC1.C1CCOC1.CC(C)(c1ccc[cH-]1)c1ccc[cH-]1.[Mg+2]
InChIInChI=1S/C13H14.2C4H8O.Mg/c1-13(2,11-7-3-4-8-11)12-9-5-6-10-12;2*1-2-4-5-3-1;/h3-10H,1-2H3;2*1-4H2;/q-2;;;+2
InChIKeyAWRBQERZDCKFCP-UHFFFAOYSA-N
XLogP4.66
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.77
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of magnesium;1-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)cyclopenta-1,3-diene;oxolane?
The IUPAC name of magnesium;1-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)cyclopenta-1,3-diene;oxolane (CID 139103933) is magnesium;1-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)cyclopenta-1,3-diene;oxolane.
What is the SMILES notation for magnesium;1-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)cyclopenta-1,3-diene;oxolane?
The canonical SMILES for magnesium;1-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)cyclopenta-1,3-diene;oxolane is C1CCOC1.C1CCOC1.CC(C)(c1ccc[cH-]1)c1ccc[cH-]1.[Mg+2].
What is the InChIKey of magnesium;1-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)cyclopenta-1,3-diene;oxolane?
The InChIKey is AWRBQERZDCKFCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14.2C4H8O.Mg/c1-13(2,11-7-3-4-8-11)12-9-5-6-10-12;2*1-2-4-5-3-1;/h3-10H,1-2H3;2*1-4H2;/q-2;;;+2.
What are the key properties of magnesium;1-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)cyclopenta-1,3-diene;oxolane?
magnesium;1-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)cyclopenta-1,3-diene;oxolane has a molecular weight of 338.77 g/mol, XLogP of 4.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;1-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)cyclopenta-1,3-diene;oxolane is sourced from PubChem (CID 139103933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).