potassium;hydride;neodymium;bis(1,2,3,5,5-pentamethylcyclopenta-1,3-diene);dihydrochloride

C20H33Cl2KNd-2 — CID 173338362

IUPACpotassium;hydride;neodymium;bis(1,2,3,5,5-pentamethylcyclopenta-1,3-diene);dihydrochloride
SMILESCC1=[C-]C(C)(C)C(C)=C1C.CC1=[C-]C(C)(C)C(C)=C1C.Cl.Cl.[H-].[K+].[Nd]
InChIInChI=1S/2C10H15.2ClH.K.Nd.H/c2*1-7-6-10(4,5)9(3)8(7)2;;;;;/h2*1-5H3;2*1H;;;/q2*-1;;;+1;;-1
InChIKeyUHLPRQSOXWBHCS-UHFFFAOYSA-N
MW527.73 g/mol
LogP4.18
Rot. Bonds

About potassium;hydride;neodymium;bis(1,2,3,5,5-pentamethylcyclopenta-1,3-diene);dihydrochloride

potassium;hydride;neodymium;bis(1,2,3,5,5-pentamethylcyclopenta-1,3-diene);dihydrochloride (PubChem CID 173338362) has the molecular formula C20H33Cl2KNd-2 and a molecular weight of 527.73 g/mol. Its IUPAC name is potassium;hydride;neodymium;bis(1,2,3,5,5-pentamethylcyclopenta-1,3-diene);dihydrochloride.

Molecular Properties

Compound Namepotassium;hydride;neodymium;bis(1,2,3,5,5-pentamethylcyclopenta-1,3-diene);dihydrochloride
PubChem CID173338362
Molecular FormulaC20H33Cl2KNd-2
Molecular Weight527.73 g/mol
Exact Mass524.07
IUPAC Namepotassium;hydride;neodymium;bis(1,2,3,5,5-pentamethylcyclopenta-1,3-diene);dihydrochloride
SMILESCC1=[C-]C(C)(C)C(C)=C1C.CC1=[C-]C(C)(C)C(C)=C1C.Cl.Cl.[H-].[K+].[Nd]
InChIInChI=1S/2C10H15.2ClH.K.Nd.H/c2*1-7-6-10(4,5)9(3)8(7)2;;;;;/h2*1-5H3;2*1H;;;/q2*-1;;;+1;;-1
InChIKeyUHLPRQSOXWBHCS-UHFFFAOYSA-N
XLogP4.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.73
LogP ≤ 54.18
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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Frequently Asked Questions

What is the IUPAC name of potassium;hydride;neodymium;bis(1,2,3,5,5-pentamethylcyclopenta-1,3-diene);dihydrochloride?
The IUPAC name of potassium;hydride;neodymium;bis(1,2,3,5,5-pentamethylcyclopenta-1,3-diene);dihydrochloride (CID 173338362) is potassium;hydride;neodymium;bis(1,2,3,5,5-pentamethylcyclopenta-1,3-diene);dihydrochloride.
What is the SMILES notation for potassium;hydride;neodymium;bis(1,2,3,5,5-pentamethylcyclopenta-1,3-diene);dihydrochloride?
The canonical SMILES for potassium;hydride;neodymium;bis(1,2,3,5,5-pentamethylcyclopenta-1,3-diene);dihydrochloride is CC1=[C-]C(C)(C)C(C)=C1C.CC1=[C-]C(C)(C)C(C)=C1C.Cl.Cl.[H-].[K+].[Nd].
What is the InChIKey of potassium;hydride;neodymium;bis(1,2,3,5,5-pentamethylcyclopenta-1,3-diene);dihydrochloride?
The InChIKey is UHLPRQSOXWBHCS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H15.2ClH.K.Nd.H/c2*1-7-6-10(4,5)9(3)8(7)2;;;;;/h2*1-5H3;2*1H;;;/q2*-1;;;+1;;-1.
What are the key properties of potassium;hydride;neodymium;bis(1,2,3,5,5-pentamethylcyclopenta-1,3-diene);dihydrochloride?
potassium;hydride;neodymium;bis(1,2,3,5,5-pentamethylcyclopenta-1,3-diene);dihydrochloride has a molecular weight of 527.73 g/mol, XLogP of 4.18, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;hydride;neodymium;bis(1,2,3,5,5-pentamethylcyclopenta-1,3-diene);dihydrochloride is sourced from PubChem (CID 173338362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).