carbanide;cyclopenta-1,3-diene;hafnium;1-(2-methylpropyl)-1,2-dihydroinden-2-ide

C25H41Hf-9 — CID 163362666

IUPACcarbanide;cyclopenta-1,3-diene;hafnium;1-(2-methylpropyl)-1,2-dihydroinden-2-ide
SMILESCC(C)CC1[C-]=Cc2ccccc21.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Hf].c1cc[cH-]c1
InChIInChI=1S/C13H15.C5H5.7CH3.Hf/c1-10(2)9-12-8-7-11-5-3-4-6-13(11)12;1-2-4-5-3-1;;;;;;;;/h3-7,10,12H,9H2,1-2H3;1-5H;7*1H3;/q9*-1;
InChIKeyVHQPSMSXURQLFD-UHFFFAOYSA-N
MW520.09 g/mol
LogP8.20
Rot. Bonds2

About carbanide;cyclopenta-1,3-diene;hafnium;1-(2-methylpropyl)-1,2-dihydroinden-2-ide

carbanide;cyclopenta-1,3-diene;hafnium;1-(2-methylpropyl)-1,2-dihydroinden-2-ide (PubChem CID 163362666) has the molecular formula C25H41Hf-9 and a molecular weight of 520.09 g/mol. Its IUPAC name is carbanide;cyclopenta-1,3-diene;hafnium;1-(2-methylpropyl)-1,2-dihydroinden-2-ide.

Molecular Properties

Compound Namecarbanide;cyclopenta-1,3-diene;hafnium;1-(2-methylpropyl)-1,2-dihydroinden-2-ide
PubChem CID163362666
Molecular FormulaC25H41Hf-9
Molecular Weight520.09 g/mol
Exact Mass521.27
IUPAC Namecarbanide;cyclopenta-1,3-diene;hafnium;1-(2-methylpropyl)-1,2-dihydroinden-2-ide
SMILESCC(C)CC1[C-]=Cc2ccccc21.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Hf].c1cc[cH-]c1
InChIInChI=1S/C13H15.C5H5.7CH3.Hf/c1-10(2)9-12-8-7-11-5-3-4-6-13(11)12;1-2-4-5-3-1;;;;;;;;/h3-7,10,12H,9H2,1-2H3;1-5H;7*1H3;/q9*-1;
InChIKeyVHQPSMSXURQLFD-UHFFFAOYSA-N
XLogP8.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.09
LogP ≤ 58.20
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 carbanide;cyclopenta-1,3-diene;hafnium;1-(2-methylpropyl)-1,2-dihydroinden-2-ide?
The IUPAC name of carbanide;cyclopenta-1,3-diene;hafnium;1-(2-methylpropyl)-1,2-dihydroinden-2-ide (CID 163362666) is carbanide;cyclopenta-1,3-diene;hafnium;1-(2-methylpropyl)-1,2-dihydroinden-2-ide.
What is the SMILES notation for carbanide;cyclopenta-1,3-diene;hafnium;1-(2-methylpropyl)-1,2-dihydroinden-2-ide?
The canonical SMILES for carbanide;cyclopenta-1,3-diene;hafnium;1-(2-methylpropyl)-1,2-dihydroinden-2-ide is CC(C)CC1[C-]=Cc2ccccc21.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Hf].c1cc[cH-]c1.
What is the InChIKey of carbanide;cyclopenta-1,3-diene;hafnium;1-(2-methylpropyl)-1,2-dihydroinden-2-ide?
The InChIKey is VHQPSMSXURQLFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15.C5H5.7CH3.Hf/c1-10(2)9-12-8-7-11-5-3-4-6-13(11)12;1-2-4-5-3-1;;;;;;;;/h3-7,10,12H,9H2,1-2H3;1-5H;7*1H3;/q9*-1;.
What are the key properties of carbanide;cyclopenta-1,3-diene;hafnium;1-(2-methylpropyl)-1,2-dihydroinden-2-ide?
carbanide;cyclopenta-1,3-diene;hafnium;1-(2-methylpropyl)-1,2-dihydroinden-2-ide has a molecular weight of 520.09 g/mol, XLogP of 8.20, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;cyclopenta-1,3-diene;hafnium;1-(2-methylpropyl)-1,2-dihydroinden-2-ide is sourced from PubChem (CID 163362666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).