trimethyl-[(5R,6R,11S,12S)-6,11,12-tris(trimethylsilyl)-5,6,11,12-tetrahydrotetracen-5-yl]silane

C30H48Si4 — CID 132992519

About trimethyl-[(5R,6R,11S,12S)-6,11,12-tris(trimethylsilyl)-5,6,11,12-tetrahydrotetracen-5-yl]silane

trimethyl-[(5R,6R,11S,12S)-6,11,12-tris(trimethylsilyl)-5,6,11,12-tetrahydrotetracen-5-yl]silane (PubChem CID 132992519) has the molecular formula C30H48Si4 and a molecular weight of 521.06 g/mol. Its IUPAC name is trimethyl-[(5R,6R,11S,12S)-6,11,12-tris(trimethylsilyl)-5,6,11,12-tetrahydrotetracen-5-yl]silane.

Molecular Properties

• Compound Name: trimethyl-[(5R,6R,11S,12S)-6,11,12-tris(trimethylsilyl)-5,6,11,12-tetrahydrotetracen-5-yl]silane
• PubChem CID: 132992519
• Molecular Formula: C30H48Si4
• Molecular Weight: 521.06 g/mol
• Exact Mass: 520.28
• IUPAC Name: trimethyl-[(5R,6R,11S,12S)-6,11,12-tris(trimethylsilyl)-5,6,11,12-tetrahydrotetracen-5-yl]silane
• SMILES: C[Si](C)(C)[C@@H]1C2=C([C@H]([Si](C)(C)C)c3ccccc31)[C@H]([Si](C)(C)C)c1ccccc1[C@@H]2[Si](C)(C)C
• InChI: InChI=1S/C30H48Si4/c1-31(2,3)27-21-17-13-14-18-22(21)29(33(7,8)9)26-25(27)28(32(4,5)6)23-19-15-16-20-24(23)30(26)34(10,11)12/h13-20,27-30H,1-12H3/t27-,28-,29+,30+
• InChIKey: RBOSUBREPIUVJH-JCUIFQIWSA-N
• XLogP: 9.55
• TPSA: 0.00 Ų
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	521.06
LogP ≤ 5	9.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of trimethyl-[(5R,6R,11S,12S)-6,11,12-tris(trimethylsilyl)-5,6,11,12-tetrahydrotetracen-5-yl]silane?

The IUPAC name of trimethyl-[(5R,6R,11S,12S)-6,11,12-tris(trimethylsilyl)-5,6,11,12-tetrahydrotetracen-5-yl]silane (CID 132992519) is trimethyl-[(5R,6R,11S,12S)-6,11,12-tris(trimethylsilyl)-5,6,11,12-tetrahydrotetracen-5-yl]silane.

What is the SMILES notation for trimethyl-[(5R,6R,11S,12S)-6,11,12-tris(trimethylsilyl)-5,6,11,12-tetrahydrotetracen-5-yl]silane?

The canonical SMILES for trimethyl-[(5R,6R,11S,12S)-6,11,12-tris(trimethylsilyl)-5,6,11,12-tetrahydrotetracen-5-yl]silane is C[Si](C)(C)[C@@H]1C2=C([C@H]([Si](C)(C)C)c3ccccc31)[C@H]([Si](C)(C)C)c1ccccc1[C@@H]2[Si](C)(C)C.

What is the InChIKey of trimethyl-[(5R,6R,11S,12S)-6,11,12-tris(trimethylsilyl)-5,6,11,12-tetrahydrotetracen-5-yl]silane?

The InChIKey is RBOSUBREPIUVJH-JCUIFQIWSA-N. The full InChI is InChI=1S/C30H48Si4/c1-31(2,3)27-21-17-13-14-18-22(21)29(33(7,8)9)26-25(27)28(32(4,5)6)23-19-15-16-20-24(23)30(26)34(10,11)12/h13-20,27-30H,1-12H3/t27-,28-,29+,30+.

What are the key properties of trimethyl-[(5R,6R,11S,12S)-6,11,12-tris(trimethylsilyl)-5,6,11,12-tetrahydrotetracen-5-yl]silane?

trimethyl-[(5R,6R,11S,12S)-6,11,12-tris(trimethylsilyl)-5,6,11,12-tetrahydrotetracen-5-yl]silane has a molecular weight of 521.06 g/mol, XLogP of 9.55, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for trimethyl-[(5R,6R,11S,12S)-6,11,12-tris(trimethylsilyl)-5,6,11,12-tetrahydrotetracen-5-yl]silane is sourced from PubChem (CID 132992519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).