trimethyl-(19-trimethylsilyl-9-hexacyclo[12.6.1.14,8.02,12.018,21.011,22]docosanyl)silane

C28H50Si2 — CID 123562810

IUPACtrimethyl-(19-trimethylsilyl-9-hexacyclo[12.6.1.14,8.02,12.018,21.011,22]docosanyl)silane
SMILESC[Si](C)(C)C1CC2C3CC4CCCC5C4C(CC5[Si](C)(C)C)C3CC3CCCC1C32
InChIInChI=1S/C28H50Si2/c1-29(2,3)25-15-23-21-14-18-10-8-12-20-26(30(4,5)6)16-24(28(18)20)22(21)13-17-9-7-11-19(25)27(17)23/h17-28H,7-16H2,1-6H3
InChIKeyLSVCBEHMKDXGHI-UHFFFAOYSA-N
MW442.88 g/mol
LogP8.55
Rot. Bonds2

About trimethyl-(19-trimethylsilyl-9-hexacyclo[12.6.1.14,8.02,12.018,21.011,22]docosanyl)silane

trimethyl-(19-trimethylsilyl-9-hexacyclo[12.6.1.14,8.02,12.018,21.011,22]docosanyl)silane (PubChem CID 123562810) has the molecular formula C28H50Si2 and a molecular weight of 442.88 g/mol. Its IUPAC name is trimethyl-(19-trimethylsilyl-9-hexacyclo[12.6.1.14,8.02,12.018,21.011,22]docosanyl)silane.

Molecular Properties

Compound Nametrimethyl-(19-trimethylsilyl-9-hexacyclo[12.6.1.14,8.02,12.018,21.011,22]docosanyl)silane
PubChem CID123562810
Molecular FormulaC28H50Si2
Molecular Weight442.88 g/mol
Exact Mass442.35
IUPAC Nametrimethyl-(19-trimethylsilyl-9-hexacyclo[12.6.1.14,8.02,12.018,21.011,22]docosanyl)silane
SMILESC[Si](C)(C)C1CC2C3CC4CCCC5C4C(CC5[Si](C)(C)C)C3CC3CCCC1C32
InChIInChI=1S/C28H50Si2/c1-29(2,3)25-15-23-21-14-18-10-8-12-20-26(30(4,5)6)16-24(28(18)20)22(21)13-17-9-7-11-19(25)27(17)23/h17-28H,7-16H2,1-6H3
InChIKeyLSVCBEHMKDXGHI-UHFFFAOYSA-N
XLogP8.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.88
LogP ≤ 58.55
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-(19-trimethylsilyl-9-hexacyclo[12.6.1.14,8.02,12.018,21.011,22]docosanyl)silane?
The IUPAC name of trimethyl-(19-trimethylsilyl-9-hexacyclo[12.6.1.14,8.02,12.018,21.011,22]docosanyl)silane (CID 123562810) is trimethyl-(19-trimethylsilyl-9-hexacyclo[12.6.1.14,8.02,12.018,21.011,22]docosanyl)silane.
What is the SMILES notation for trimethyl-(19-trimethylsilyl-9-hexacyclo[12.6.1.14,8.02,12.018,21.011,22]docosanyl)silane?
The canonical SMILES for trimethyl-(19-trimethylsilyl-9-hexacyclo[12.6.1.14,8.02,12.018,21.011,22]docosanyl)silane is C[Si](C)(C)C1CC2C3CC4CCCC5C4C(CC5[Si](C)(C)C)C3CC3CCCC1C32.
What is the InChIKey of trimethyl-(19-trimethylsilyl-9-hexacyclo[12.6.1.14,8.02,12.018,21.011,22]docosanyl)silane?
The InChIKey is LSVCBEHMKDXGHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H50Si2/c1-29(2,3)25-15-23-21-14-18-10-8-12-20-26(30(4,5)6)16-24(28(18)20)22(21)13-17-9-7-11-19(25)27(17)23/h17-28H,7-16H2,1-6H3.
What are the key properties of trimethyl-(19-trimethylsilyl-9-hexacyclo[12.6.1.14,8.02,12.018,21.011,22]docosanyl)silane?
trimethyl-(19-trimethylsilyl-9-hexacyclo[12.6.1.14,8.02,12.018,21.011,22]docosanyl)silane has a molecular weight of 442.88 g/mol, XLogP of 8.55, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-(19-trimethylsilyl-9-hexacyclo[12.6.1.14,8.02,12.018,21.011,22]docosanyl)silane is sourced from PubChem (CID 123562810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).