trimethyl-[(1S,4R)-2,3,5-triphenyl-4-trimethylsilylcyclopent-2-en-1-yl]silane

C29H36Si2 — CID 122210293

IUPACtrimethyl-[(1S,4R)-2,3,5-triphenyl-4-trimethylsilylcyclopent-2-en-1-yl]silane
SMILESC[Si](C)(C)[C@@H]1C(c2ccccc2)=C(c2ccccc2)[C@H]([Si](C)(C)C)C1c1ccccc1
InChIInChI=1S/C29H36Si2/c1-30(2,3)28-25(22-16-10-7-11-17-22)26(23-18-12-8-13-19-23)29(31(4,5)6)27(28)24-20-14-9-15-21-24/h7-21,27-29H,1-6H3/t27?,28-,29+
InChIKeyWISOELPXFCMPKY-UETHYEEUSA-N
MW440.78 g/mol
LogP8.81
Rot. Bonds5

About trimethyl-[(1S,4R)-2,3,5-triphenyl-4-trimethylsilylcyclopent-2-en-1-yl]silane

trimethyl-[(1S,4R)-2,3,5-triphenyl-4-trimethylsilylcyclopent-2-en-1-yl]silane (PubChem CID 122210293) has the molecular formula C29H36Si2 and a molecular weight of 440.78 g/mol. Its IUPAC name is trimethyl-[(1S,4R)-2,3,5-triphenyl-4-trimethylsilylcyclopent-2-en-1-yl]silane.

Molecular Properties

Compound Nametrimethyl-[(1S,4R)-2,3,5-triphenyl-4-trimethylsilylcyclopent-2-en-1-yl]silane
PubChem CID122210293
Molecular FormulaC29H36Si2
Molecular Weight440.78 g/mol
Exact Mass440.24
IUPAC Nametrimethyl-[(1S,4R)-2,3,5-triphenyl-4-trimethylsilylcyclopent-2-en-1-yl]silane
SMILESC[Si](C)(C)[C@@H]1C(c2ccccc2)=C(c2ccccc2)[C@H]([Si](C)(C)C)C1c1ccccc1
InChIInChI=1S/C29H36Si2/c1-30(2,3)28-25(22-16-10-7-11-17-22)26(23-18-12-8-13-19-23)29(31(4,5)6)27(28)24-20-14-9-15-21-24/h7-21,27-29H,1-6H3/t27?,28-,29+
InChIKeyWISOELPXFCMPKY-UETHYEEUSA-N
XLogP8.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.78
LogP ≤ 58.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[(1S,4R)-2,3,5-triphenyl-4-trimethylsilylcyclopent-2-en-1-yl]silane?
The IUPAC name of trimethyl-[(1S,4R)-2,3,5-triphenyl-4-trimethylsilylcyclopent-2-en-1-yl]silane (CID 122210293) is trimethyl-[(1S,4R)-2,3,5-triphenyl-4-trimethylsilylcyclopent-2-en-1-yl]silane.
What is the SMILES notation for trimethyl-[(1S,4R)-2,3,5-triphenyl-4-trimethylsilylcyclopent-2-en-1-yl]silane?
The canonical SMILES for trimethyl-[(1S,4R)-2,3,5-triphenyl-4-trimethylsilylcyclopent-2-en-1-yl]silane is C[Si](C)(C)[C@@H]1C(c2ccccc2)=C(c2ccccc2)[C@H]([Si](C)(C)C)C1c1ccccc1.
What is the InChIKey of trimethyl-[(1S,4R)-2,3,5-triphenyl-4-trimethylsilylcyclopent-2-en-1-yl]silane?
The InChIKey is WISOELPXFCMPKY-UETHYEEUSA-N. The full InChI is InChI=1S/C29H36Si2/c1-30(2,3)28-25(22-16-10-7-11-17-22)26(23-18-12-8-13-19-23)29(31(4,5)6)27(28)24-20-14-9-15-21-24/h7-21,27-29H,1-6H3/t27?,28-,29+.
What are the key properties of trimethyl-[(1S,4R)-2,3,5-triphenyl-4-trimethylsilylcyclopent-2-en-1-yl]silane?
trimethyl-[(1S,4R)-2,3,5-triphenyl-4-trimethylsilylcyclopent-2-en-1-yl]silane has a molecular weight of 440.78 g/mol, XLogP of 8.81, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(1S,4R)-2,3,5-triphenyl-4-trimethylsilylcyclopent-2-en-1-yl]silane is sourced from PubChem (CID 122210293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).