Carbanide;16-cyclopenta-1,4-dien-1-ylhexadecyl(trimethoxy)silane;platinum(4+)

C₂₇H₅₄O₃PtSi — CID 87079168

About Carbanide;16-cyclopenta-1,4-dien-1-ylhexadecyl(trimethoxy)silane;platinum(4+)

Carbanide;16-cyclopenta-1,4-dien-1-ylhexadecyl(trimethoxy)silane;platinum(4+) (PubChem CID 87079168) has the molecular formula C₂₇H₅₄O₃PtSi and a molecular weight of 649.89 g/mol. Its IUPAC name is carbanide;16-cyclopenta-1,4-dien-1-ylhexadecyl(trimethoxy)silane;platinum(4+).

Molecular Properties

• Compound Name: Carbanide;16-cyclopenta-1,4-dien-1-ylhexadecyl(trimethoxy)silane;platinum(4+)
• PubChem CID: 87079168
• Molecular Formula: C₂₇H₅₄O₃PtSi
• Molecular Weight: 649.89 g/mol
• Exact Mass: 649.35
• IUPAC Name: carbanide;16-cyclopenta-1,4-dien-1-ylhexadecyl(trimethoxy)silane;platinum(4+)
• SMILES: CO[Si](CCCCCCCCCCCCCCCCC1=[C-]CC=C1)(OC)OC.[CH3-].[CH3-].[CH3-].[Pt+4]
• InChI: InChI=1S/C24H45O3Si.3CH3.Pt/c1-25-28(26-2,27-3)23-19-15-13-11-9-7-5-4-6-8-10-12-14-16-20-24-21-17-18-22-24;;;;/h17,21H,4-16,18-20,23H2,1-3H3;3*1H3;/q4*-1;+4
• InChIKey: SPWWRTCVBVHSOK-UHFFFAOYSA-N
• XLogP: 8.75
• TPSA: 27.69 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 20
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	649.89
LogP ≤ 5	8.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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;16-cyclopenta-1,4-dien-1-ylhexadecyl(trimethoxy)silane;platinum(4+)?

The IUPAC name of Carbanide;16-cyclopenta-1,4-dien-1-ylhexadecyl(trimethoxy)silane;platinum(4+) (CID 87079168) is carbanide;16-cyclopenta-1,4-dien-1-ylhexadecyl(trimethoxy)silane;platinum(4+).

What is the SMILES notation for Carbanide;16-cyclopenta-1,4-dien-1-ylhexadecyl(trimethoxy)silane;platinum(4+)?

The canonical SMILES for Carbanide;16-cyclopenta-1,4-dien-1-ylhexadecyl(trimethoxy)silane;platinum(4+) is CO[Si](CCCCCCCCCCCCCCCCC1=[C-]CC=C1)(OC)OC.[CH3-].[CH3-].[CH3-].[Pt+4].

What is the InChIKey of Carbanide;16-cyclopenta-1,4-dien-1-ylhexadecyl(trimethoxy)silane;platinum(4+)?

The InChIKey is SPWWRTCVBVHSOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H45O3Si.3CH3.Pt/c1-25-28(26-2,27-3)23-19-15-13-11-9-7-5-4-6-8-10-12-14-16-20-24-21-17-18-22-24;;;;/h17,21H,4-16,18-20,23H2,1-3H3;3*1H3;/q4*-1;+4.

What are the key properties of Carbanide;16-cyclopenta-1,4-dien-1-ylhexadecyl(trimethoxy)silane;platinum(4+)?

Carbanide;16-cyclopenta-1,4-dien-1-ylhexadecyl(trimethoxy)silane;platinum(4+) has a molecular weight of 649.89 g/mol, XLogP of 8.75, 20 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Carbanide;16-cyclopenta-1,4-dien-1-ylhexadecyl(trimethoxy)silane;platinum(4+) is sourced from PubChem (CID 87079168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 87079168 — identifiers, structure, computed properties (public domain)

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