[3,5-ditert-butyl-2-[(2,4-ditert-butyl-5-trimethylsilylcyclopenta-1,3-dien-1-yl)disulfanyl]cyclopenta-2,4-dien-1-yl]-trimethylsilane

C32H58S2Si2 — CID 15272749

About [3,5-ditert-butyl-2-[(2,4-ditert-butyl-5-trimethylsilylcyclopenta-1,3-dien-1-yl)disulfanyl]cyclopenta-2,4-dien-1-yl]-trimethylsilane

[3,5-ditert-butyl-2-[(2,4-ditert-butyl-5-trimethylsilylcyclopenta-1,3-dien-1-yl)disulfanyl]cyclopenta-2,4-dien-1-yl]-trimethylsilane (PubChem CID 15272749) has the molecular formula C32H58S2Si2 and a molecular weight of 563.12 g/mol. Its IUPAC name is [3,5-ditert-butyl-2-[(2,4-ditert-butyl-5-trimethylsilylcyclopenta-1,3-dien-1-yl)disulfanyl]cyclopenta-2,4-dien-1-yl]-trimethylsilane.

Molecular Properties

• Compound Name: [3,5-ditert-butyl-2-[(2,4-ditert-butyl-5-trimethylsilylcyclopenta-1,3-dien-1-yl)disulfanyl]cyclopenta-2,4-dien-1-yl]-trimethylsilane
• PubChem CID: 15272749
• Molecular Formula: C32H58S2Si2
• Molecular Weight: 563.12 g/mol
• Exact Mass: 562.35
• IUPAC Name: [3,5-ditert-butyl-2-[(2,4-ditert-butyl-5-trimethylsilylcyclopenta-1,3-dien-1-yl)disulfanyl]cyclopenta-2,4-dien-1-yl]-trimethylsilane
• SMILES: CC(C)(C)C1=CC(C(C)(C)C)=C(SSC2=C(C(C)(C)C)C=C(C(C)(C)C)C2[Si](C)(C)C)C1[Si](C)(C)C
• InChI: InChI=1S/C32H58S2Si2/c1-29(2,3)21-19-23(31(7,8)9)27(35(13,14)15)25(21)33-34-26-22(30(4,5)6)20-24(32(10,11)12)28(26)36(16,17)18/h19-20,27-28H,1-18H3
• InChIKey: HZCNHJVVQMAZNF-UHFFFAOYSA-N
• XLogP: 12.36
• TPSA: 0.00 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	563.12
LogP ≤ 5	12.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [3,5-ditert-butyl-2-[(2,4-ditert-butyl-5-trimethylsilylcyclopenta-1,3-dien-1-yl)disulfanyl]cyclopenta-2,4-dien-1-yl]-trimethylsilane?

The IUPAC name of [3,5-ditert-butyl-2-[(2,4-ditert-butyl-5-trimethylsilylcyclopenta-1,3-dien-1-yl)disulfanyl]cyclopenta-2,4-dien-1-yl]-trimethylsilane (CID 15272749) is [3,5-ditert-butyl-2-[(2,4-ditert-butyl-5-trimethylsilylcyclopenta-1,3-dien-1-yl)disulfanyl]cyclopenta-2,4-dien-1-yl]-trimethylsilane.

What is the SMILES notation for [3,5-ditert-butyl-2-[(2,4-ditert-butyl-5-trimethylsilylcyclopenta-1,3-dien-1-yl)disulfanyl]cyclopenta-2,4-dien-1-yl]-trimethylsilane?

The canonical SMILES for [3,5-ditert-butyl-2-[(2,4-ditert-butyl-5-trimethylsilylcyclopenta-1,3-dien-1-yl)disulfanyl]cyclopenta-2,4-dien-1-yl]-trimethylsilane is CC(C)(C)C1=CC(C(C)(C)C)=C(SSC2=C(C(C)(C)C)C=C(C(C)(C)C)C2[Si](C)(C)C)C1[Si](C)(C)C.

What is the InChIKey of [3,5-ditert-butyl-2-[(2,4-ditert-butyl-5-trimethylsilylcyclopenta-1,3-dien-1-yl)disulfanyl]cyclopenta-2,4-dien-1-yl]-trimethylsilane?

The InChIKey is HZCNHJVVQMAZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H58S2Si2/c1-29(2,3)21-19-23(31(7,8)9)27(35(13,14)15)25(21)33-34-26-22(30(4,5)6)20-24(32(10,11)12)28(26)36(16,17)18/h19-20,27-28H,1-18H3.

What are the key properties of [3,5-ditert-butyl-2-[(2,4-ditert-butyl-5-trimethylsilylcyclopenta-1,3-dien-1-yl)disulfanyl]cyclopenta-2,4-dien-1-yl]-trimethylsilane?

[3,5-ditert-butyl-2-[(2,4-ditert-butyl-5-trimethylsilylcyclopenta-1,3-dien-1-yl)disulfanyl]cyclopenta-2,4-dien-1-yl]-trimethylsilane has a molecular weight of 563.12 g/mol, XLogP of 12.36, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for [3,5-ditert-butyl-2-[(2,4-ditert-butyl-5-trimethylsilylcyclopenta-1,3-dien-1-yl)disulfanyl]cyclopenta-2,4-dien-1-yl]-trimethylsilane is sourced from PubChem (CID 15272749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).