(8-tert-butylperylen-2-yl)-trimethylsilane

C27H28Si — CID 59664329

IUPAC(8-tert-butylperylen-2-yl)-trimethylsilane
SMILESCC(C)(C)c1cc2cccc3c4cc([Si](C)(C)C)cc5cccc(c(c1)c23)c54
InChIInChI=1S/C27H28Si/c1-27(2,3)19-13-17-9-7-12-22-24-16-20(28(4,5)6)14-18-10-8-11-21(26(18)24)23(15-19)25(17)22/h7-16H,1-6H3
InChIKeySXAJZCQHIRUKJQ-UHFFFAOYSA-N
MW380.61 g/mol
LogP7.58
Rot. Bonds1

About (8-tert-butylperylen-2-yl)-trimethylsilane

(8-tert-butylperylen-2-yl)-trimethylsilane (PubChem CID 59664329) has the molecular formula C27H28Si and a molecular weight of 380.61 g/mol. Its IUPAC name is (8-tert-butylperylen-2-yl)-trimethylsilane.

Molecular Properties

Compound Name(8-tert-butylperylen-2-yl)-trimethylsilane
PubChem CID59664329
Molecular FormulaC27H28Si
Molecular Weight380.61 g/mol
Exact Mass380.20
IUPAC Name(8-tert-butylperylen-2-yl)-trimethylsilane
SMILESCC(C)(C)c1cc2cccc3c4cc([Si](C)(C)C)cc5cccc(c(c1)c23)c54
InChIInChI=1S/C27H28Si/c1-27(2,3)19-13-17-9-7-12-22-24-16-20(28(4,5)6)14-18-10-8-11-21(26(18)24)23(15-19)25(17)22/h7-16H,1-6H3
InChIKeySXAJZCQHIRUKJQ-UHFFFAOYSA-N
XLogP7.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.61
LogP ≤ 57.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (8-tert-butylperylen-2-yl)-trimethylsilane?
The IUPAC name of (8-tert-butylperylen-2-yl)-trimethylsilane (CID 59664329) is (8-tert-butylperylen-2-yl)-trimethylsilane.
What is the SMILES notation for (8-tert-butylperylen-2-yl)-trimethylsilane?
The canonical SMILES for (8-tert-butylperylen-2-yl)-trimethylsilane is CC(C)(C)c1cc2cccc3c4cc([Si](C)(C)C)cc5cccc(c(c1)c23)c54.
What is the InChIKey of (8-tert-butylperylen-2-yl)-trimethylsilane?
The InChIKey is SXAJZCQHIRUKJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28Si/c1-27(2,3)19-13-17-9-7-12-22-24-16-20(28(4,5)6)14-18-10-8-11-21(26(18)24)23(15-19)25(17)22/h7-16H,1-6H3.
What are the key properties of (8-tert-butylperylen-2-yl)-trimethylsilane?
(8-tert-butylperylen-2-yl)-trimethylsilane has a molecular weight of 380.61 g/mol, XLogP of 7.58, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (8-tert-butylperylen-2-yl)-trimethylsilane is sourced from PubChem (CID 59664329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).