tert-butyl-[2-[[(Z)-2-[tert-butyl(dimethyl)silyl]-4,4-dimethyl-3-trimethylsilyloxypent-1-enyl]-bis(trimethylsilyl)silyl]ethynyl]-dimethylsilane

C30H68OSi6 — CID 102009319

About tert-butyl-[2-[[(Z)-2-[tert-butyl(dimethyl)silyl]-4,4-dimethyl-3-trimethylsilyloxypent-1-enyl]-bis(trimethylsilyl)silyl]ethynyl]-dimethylsilane

tert-butyl-[2-[[(Z)-2-[tert-butyl(dimethyl)silyl]-4,4-dimethyl-3-trimethylsilyloxypent-1-enyl]-bis(trimethylsilyl)silyl]ethynyl]-dimethylsilane (PubChem CID 102009319) has the molecular formula C30H68OSi6 and a molecular weight of 613.39 g/mol. Its IUPAC name is tert-butyl-[2-[[(Z)-2-[tert-butyl(dimethyl)silyl]-4,4-dimethyl-3-trimethylsilyloxypent-1-enyl]-bis(trimethylsilyl)silyl]ethynyl]-dimethylsilane.

Molecular Properties

• Compound Name: tert-butyl-[2-[[(Z)-2-[tert-butyl(dimethyl)silyl]-4,4-dimethyl-3-trimethylsilyloxypent-1-enyl]-bis(trimethylsilyl)silyl]ethynyl]-dimethylsilane
• PubChem CID: 102009319
• Molecular Formula: C30H68OSi6
• Molecular Weight: 613.39 g/mol
• Exact Mass: 612.39
• IUPAC Name: tert-butyl-[2-[[(Z)-2-[tert-butyl(dimethyl)silyl]-4,4-dimethyl-3-trimethylsilyloxypent-1-enyl]-bis(trimethylsilyl)silyl]ethynyl]-dimethylsilane
• SMILES: CC(C)(C)C(O[Si](C)(C)C)/C(=C/[Si](C#C[Si](C)(C)C(C)(C)C)([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C30H68OSi6/c1-28(2,3)27(31-32(10,11)12)26(36(21,22)30(7,8)9)25-37(33(13,14)15,34(16,17)18)24-23-35(19,20)29(4,5)6/h25,27H,1-22H3/b26-25-
• InChIKey: UBCRPLOZLMSFOB-QPLCGJKRSA-N
• XLogP: 10.64
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	613.39
LogP ≤ 5	10.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-[[(Z)-2-[tert-butyl(dimethyl)silyl]-4,4-dimethyl-3-trimethylsilyloxypent-1-enyl]-bis(trimethylsilyl)silyl]ethynyl]-dimethylsilane?

The IUPAC name of tert-butyl-[2-[[(Z)-2-[tert-butyl(dimethyl)silyl]-4,4-dimethyl-3-trimethylsilyloxypent-1-enyl]-bis(trimethylsilyl)silyl]ethynyl]-dimethylsilane (CID 102009319) is tert-butyl-[2-[[(Z)-2-[tert-butyl(dimethyl)silyl]-4,4-dimethyl-3-trimethylsilyloxypent-1-enyl]-bis(trimethylsilyl)silyl]ethynyl]-dimethylsilane.

What is the SMILES notation for tert-butyl-[2-[[(Z)-2-[tert-butyl(dimethyl)silyl]-4,4-dimethyl-3-trimethylsilyloxypent-1-enyl]-bis(trimethylsilyl)silyl]ethynyl]-dimethylsilane?

The canonical SMILES for tert-butyl-[2-[[(Z)-2-[tert-butyl(dimethyl)silyl]-4,4-dimethyl-3-trimethylsilyloxypent-1-enyl]-bis(trimethylsilyl)silyl]ethynyl]-dimethylsilane is CC(C)(C)C(O[Si](C)(C)C)/C(=C/[Si](C#C[Si](C)(C)C(C)(C)C)([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C(C)(C)C.

What is the InChIKey of tert-butyl-[2-[[(Z)-2-[tert-butyl(dimethyl)silyl]-4,4-dimethyl-3-trimethylsilyloxypent-1-enyl]-bis(trimethylsilyl)silyl]ethynyl]-dimethylsilane?

The InChIKey is UBCRPLOZLMSFOB-QPLCGJKRSA-N. The full InChI is InChI=1S/C30H68OSi6/c1-28(2,3)27(31-32(10,11)12)26(36(21,22)30(7,8)9)25-37(33(13,14)15,34(16,17)18)24-23-35(19,20)29(4,5)6/h25,27H,1-22H3/b26-25-.

What are the key properties of tert-butyl-[2-[[(Z)-2-[tert-butyl(dimethyl)silyl]-4,4-dimethyl-3-trimethylsilyloxypent-1-enyl]-bis(trimethylsilyl)silyl]ethynyl]-dimethylsilane?

tert-butyl-[2-[[(Z)-2-[tert-butyl(dimethyl)silyl]-4,4-dimethyl-3-trimethylsilyloxypent-1-enyl]-bis(trimethylsilyl)silyl]ethynyl]-dimethylsilane has a molecular weight of 613.39 g/mol, XLogP of 10.64, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[2-[[(Z)-2-[tert-butyl(dimethyl)silyl]-4,4-dimethyl-3-trimethylsilyloxypent-1-enyl]-bis(trimethylsilyl)silyl]ethynyl]-dimethylsilane is sourced from PubChem (CID 102009319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).