trimethyl-[2-[2,3,4,5,6-pentakis(2-trimethylsilylethyl)phenyl]ethyl]silane

C36H78Si6 — CID 15321461

IUPACtrimethyl-[2-[2,3,4,5,6-pentakis(2-trimethylsilylethyl)phenyl]ethyl]silane
SMILESC[Si](C)(C)CCc1c(CC[Si](C)(C)C)c(CC[Si](C)(C)C)c(CC[Si](C)(C)C)c(CC[Si](C)(C)C)c1CC[Si](C)(C)C
InChIInChI=1S/C36H78Si6/c1-37(2,3)25-19-31-32(20-26-38(4,5)6)34(22-28-40(10,11)12)36(24-30-42(16,17)18)35(23-29-41(13,14)15)33(31)21-27-39(7,8)9/h19-30H2,1-18H3
InChIKeyYTFFBTXWFQOEBJ-UHFFFAOYSA-N
MW679.54 g/mol
LogP12.97
Rot. Bonds18

About trimethyl-[2-[2,3,4,5,6-pentakis(2-trimethylsilylethyl)phenyl]ethyl]silane

trimethyl-[2-[2,3,4,5,6-pentakis(2-trimethylsilylethyl)phenyl]ethyl]silane (PubChem CID 15321461) has the molecular formula C36H78Si6 and a molecular weight of 679.54 g/mol. Its IUPAC name is trimethyl-[2-[2,3,4,5,6-pentakis(2-trimethylsilylethyl)phenyl]ethyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[2,3,4,5,6-pentakis(2-trimethylsilylethyl)phenyl]ethyl]silane
PubChem CID15321461
Molecular FormulaC36H78Si6
Molecular Weight679.54 g/mol
Exact Mass678.47
IUPAC Nametrimethyl-[2-[2,3,4,5,6-pentakis(2-trimethylsilylethyl)phenyl]ethyl]silane
SMILESC[Si](C)(C)CCc1c(CC[Si](C)(C)C)c(CC[Si](C)(C)C)c(CC[Si](C)(C)C)c(CC[Si](C)(C)C)c1CC[Si](C)(C)C
InChIInChI=1S/C36H78Si6/c1-37(2,3)25-19-31-32(20-26-38(4,5)6)34(22-28-40(10,11)12)36(24-30-42(16,17)18)35(23-29-41(13,14)15)33(31)21-27-39(7,8)9/h19-30H2,1-18H3
InChIKeyYTFFBTXWFQOEBJ-UHFFFAOYSA-N
XLogP12.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds18
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.54
LogP ≤ 512.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[2,3,4,5,6-pentakis(2-trimethylsilylethyl)phenyl]ethyl]silane?
The IUPAC name of trimethyl-[2-[2,3,4,5,6-pentakis(2-trimethylsilylethyl)phenyl]ethyl]silane (CID 15321461) is trimethyl-[2-[2,3,4,5,6-pentakis(2-trimethylsilylethyl)phenyl]ethyl]silane.
What is the SMILES notation for trimethyl-[2-[2,3,4,5,6-pentakis(2-trimethylsilylethyl)phenyl]ethyl]silane?
The canonical SMILES for trimethyl-[2-[2,3,4,5,6-pentakis(2-trimethylsilylethyl)phenyl]ethyl]silane is C[Si](C)(C)CCc1c(CC[Si](C)(C)C)c(CC[Si](C)(C)C)c(CC[Si](C)(C)C)c(CC[Si](C)(C)C)c1CC[Si](C)(C)C.
What is the InChIKey of trimethyl-[2-[2,3,4,5,6-pentakis(2-trimethylsilylethyl)phenyl]ethyl]silane?
The InChIKey is YTFFBTXWFQOEBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H78Si6/c1-37(2,3)25-19-31-32(20-26-38(4,5)6)34(22-28-40(10,11)12)36(24-30-42(16,17)18)35(23-29-41(13,14)15)33(31)21-27-39(7,8)9/h19-30H2,1-18H3.
What are the key properties of trimethyl-[2-[2,3,4,5,6-pentakis(2-trimethylsilylethyl)phenyl]ethyl]silane?
trimethyl-[2-[2,3,4,5,6-pentakis(2-trimethylsilylethyl)phenyl]ethyl]silane has a molecular weight of 679.54 g/mol, XLogP of 12.97, 18 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[2,3,4,5,6-pentakis(2-trimethylsilylethyl)phenyl]ethyl]silane is sourced from PubChem (CID 15321461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).