carbanide;(3-ethylcyclopentyl)-diphenyl-[3-(trimethylsilylmethyl)cyclopentyl]silane;hafnium(4+)

C32H54HfSi2 — CID 162292818

IUPACcarbanide;(3-ethylcyclopentyl)-diphenyl-[3-(trimethylsilylmethyl)cyclopentyl]silane;hafnium(4+)
SMILESCCC1CCC([Si](c2ccccc2)(c2ccccc2)C2CCC(C[Si](C)(C)C)C2)C1.[CH3-].[CH3-].[CH3-].[CH3-].[Hf+4]
InChIInChI=1S/C28H42Si2.4CH3.Hf/c1-5-23-16-18-27(20-23)30(25-12-8-6-9-13-25,26-14-10-7-11-15-26)28-19-17-24(21-28)22-29(2,3)4;;;;;/h6-15,23-24,27-28H,5,16-22H2,1-4H3;4*1H3;/q;4*-1;+4
InChIKeyMBNOWLXNLVVOKZ-UHFFFAOYSA-N
MW673.45 g/mol
LogP9.14
Rot. Bonds7

About carbanide;(3-ethylcyclopentyl)-diphenyl-[3-(trimethylsilylmethyl)cyclopentyl]silane;hafnium(4+)

carbanide;(3-ethylcyclopentyl)-diphenyl-[3-(trimethylsilylmethyl)cyclopentyl]silane;hafnium(4+) (PubChem CID 162292818) has the molecular formula C32H54HfSi2 and a molecular weight of 673.45 g/mol. Its IUPAC name is carbanide;(3-ethylcyclopentyl)-diphenyl-[3-(trimethylsilylmethyl)cyclopentyl]silane;hafnium(4+).

Molecular Properties

Compound Namecarbanide;(3-ethylcyclopentyl)-diphenyl-[3-(trimethylsilylmethyl)cyclopentyl]silane;hafnium(4+)
PubChem CID162292818
Molecular FormulaC32H54HfSi2
Molecular Weight673.45 g/mol
Exact Mass674.32
IUPAC Namecarbanide;(3-ethylcyclopentyl)-diphenyl-[3-(trimethylsilylmethyl)cyclopentyl]silane;hafnium(4+)
SMILESCCC1CCC([Si](c2ccccc2)(c2ccccc2)C2CCC(C[Si](C)(C)C)C2)C1.[CH3-].[CH3-].[CH3-].[CH3-].[Hf+4]
InChIInChI=1S/C28H42Si2.4CH3.Hf/c1-5-23-16-18-27(20-23)30(25-12-8-6-9-13-25,26-14-10-7-11-15-26)28-19-17-24(21-28)22-29(2,3)4;;;;;/h6-15,23-24,27-28H,5,16-22H2,1-4H3;4*1H3;/q;4*-1;+4
InChIKeyMBNOWLXNLVVOKZ-UHFFFAOYSA-N
XLogP9.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500673.45
LogP ≤ 59.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of carbanide;(3-ethylcyclopentyl)-diphenyl-[3-(trimethylsilylmethyl)cyclopentyl]silane;hafnium(4+)?
The IUPAC name of carbanide;(3-ethylcyclopentyl)-diphenyl-[3-(trimethylsilylmethyl)cyclopentyl]silane;hafnium(4+) (CID 162292818) is carbanide;(3-ethylcyclopentyl)-diphenyl-[3-(trimethylsilylmethyl)cyclopentyl]silane;hafnium(4+).
What is the SMILES notation for carbanide;(3-ethylcyclopentyl)-diphenyl-[3-(trimethylsilylmethyl)cyclopentyl]silane;hafnium(4+)?
The canonical SMILES for carbanide;(3-ethylcyclopentyl)-diphenyl-[3-(trimethylsilylmethyl)cyclopentyl]silane;hafnium(4+) is CCC1CCC([Si](c2ccccc2)(c2ccccc2)C2CCC(C[Si](C)(C)C)C2)C1.[CH3-].[CH3-].[CH3-].[CH3-].[Hf+4].
What is the InChIKey of carbanide;(3-ethylcyclopentyl)-diphenyl-[3-(trimethylsilylmethyl)cyclopentyl]silane;hafnium(4+)?
The InChIKey is MBNOWLXNLVVOKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H42Si2.4CH3.Hf/c1-5-23-16-18-27(20-23)30(25-12-8-6-9-13-25,26-14-10-7-11-15-26)28-19-17-24(21-28)22-29(2,3)4;;;;;/h6-15,23-24,27-28H,5,16-22H2,1-4H3;4*1H3;/q;4*-1;+4.
What are the key properties of carbanide;(3-ethylcyclopentyl)-diphenyl-[3-(trimethylsilylmethyl)cyclopentyl]silane;hafnium(4+)?
carbanide;(3-ethylcyclopentyl)-diphenyl-[3-(trimethylsilylmethyl)cyclopentyl]silane;hafnium(4+) has a molecular weight of 673.45 g/mol, XLogP of 9.14, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;(3-ethylcyclopentyl)-diphenyl-[3-(trimethylsilylmethyl)cyclopentyl]silane;hafnium(4+) is sourced from PubChem (CID 162292818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).