carbanide;ethenyl-dimethyl-(2,3,4,5-tetramethylcyclopentyl)silane;methane;1-propyl-2,3,3a,7a-tetrahydro-1H-indene;zirconium(4+)

C30H60SiZr — CID 162271881

About carbanide;ethenyl-dimethyl-(2,3,4,5-tetramethylcyclopentyl)silane;methane;1-propyl-2,3,3a,7a-tetrahydro-1H-indene;zirconium(4+)

carbanide;ethenyl-dimethyl-(2,3,4,5-tetramethylcyclopentyl)silane;methane;1-propyl-2,3,3a,7a-tetrahydro-1H-indene;zirconium(4+) (PubChem CID 162271881) has the molecular formula C30H60SiZr and a molecular weight of 540.12 g/mol. Its IUPAC name is carbanide;ethenyl-dimethyl-(2,3,4,5-tetramethylcyclopentyl)silane;methane;1-propyl-2,3,3a,7a-tetrahydro-1H-indene;zirconium(4+).

Molecular Properties

• Compound Name: carbanide;ethenyl-dimethyl-(2,3,4,5-tetramethylcyclopentyl)silane;methane;1-propyl-2,3,3a,7a-tetrahydro-1H-indene;zirconium(4+)
• PubChem CID: 162271881
• Molecular Formula: C30H60SiZr
• Molecular Weight: 540.12 g/mol
• Exact Mass: 538.35
• IUPAC Name: carbanide;ethenyl-dimethyl-(2,3,4,5-tetramethylcyclopentyl)silane;methane;1-propyl-2,3,3a,7a-tetrahydro-1H-indene;zirconium(4+)
• SMILES: C.C=C[Si](C)(C)C1C(C)C(C)C(C)C1C.CCCC1CCC2C=CC=CC21.[CH3-].[CH3-].[CH3-].[CH3-].[Zr+4]
• InChI: InChI=1S/C13H26Si.C12H18.CH4.4CH3.Zr/c1-8-14(6,7)13-11(4)9(2)10(3)12(13)5;1-2-5-10-8-9-11-6-3-4-7-12(10)11;;;;;;/h8-13H,1H2,2-7H3;3-4,6-7,10-12H,2,5,8-9H2,1H3;1H4;4*1H3;/q;;;4*-1;+4
• InChIKey: GESTWLSSVBMWSP-UHFFFAOYSA-N
• XLogP: 10.34
• TPSA: 0.00 Ų
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	540.12
LogP ≤ 5	10.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of carbanide;ethenyl-dimethyl-(2,3,4,5-tetramethylcyclopentyl)silane;methane;1-propyl-2,3,3a,7a-tetrahydro-1H-indene;zirconium(4+)?

The IUPAC name of carbanide;ethenyl-dimethyl-(2,3,4,5-tetramethylcyclopentyl)silane;methane;1-propyl-2,3,3a,7a-tetrahydro-1H-indene;zirconium(4+) (CID 162271881) is carbanide;ethenyl-dimethyl-(2,3,4,5-tetramethylcyclopentyl)silane;methane;1-propyl-2,3,3a,7a-tetrahydro-1H-indene;zirconium(4+).

What is the SMILES notation for carbanide;ethenyl-dimethyl-(2,3,4,5-tetramethylcyclopentyl)silane;methane;1-propyl-2,3,3a,7a-tetrahydro-1H-indene;zirconium(4+)?

The canonical SMILES for carbanide;ethenyl-dimethyl-(2,3,4,5-tetramethylcyclopentyl)silane;methane;1-propyl-2,3,3a,7a-tetrahydro-1H-indene;zirconium(4+) is C.C=C[Si](C)(C)C1C(C)C(C)C(C)C1C.CCCC1CCC2C=CC=CC21.[CH3-].[CH3-].[CH3-].[CH3-].[Zr+4].

What is the InChIKey of carbanide;ethenyl-dimethyl-(2,3,4,5-tetramethylcyclopentyl)silane;methane;1-propyl-2,3,3a,7a-tetrahydro-1H-indene;zirconium(4+)?

The InChIKey is GESTWLSSVBMWSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26Si.C12H18.CH4.4CH3.Zr/c1-8-14(6,7)13-11(4)9(2)10(3)12(13)5;1-2-5-10-8-9-11-6-3-4-7-12(10)11;;;;;;/h8-13H,1H2,2-7H3;3-4,6-7,10-12H,2,5,8-9H2,1H3;1H4;4*1H3;/q;;;4*-1;+4.

What are the key properties of carbanide;ethenyl-dimethyl-(2,3,4,5-tetramethylcyclopentyl)silane;methane;1-propyl-2,3,3a,7a-tetrahydro-1H-indene;zirconium(4+)?

carbanide;ethenyl-dimethyl-(2,3,4,5-tetramethylcyclopentyl)silane;methane;1-propyl-2,3,3a,7a-tetrahydro-1H-indene;zirconium(4+) has a molecular weight of 540.12 g/mol, XLogP of 10.34, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for carbanide;ethenyl-dimethyl-(2,3,4,5-tetramethylcyclopentyl)silane;methane;1-propyl-2,3,3a,7a-tetrahydro-1H-indene;zirconium(4+) is sourced from PubChem (CID 162271881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).