(15-ethyl-8-trimethylsilyl-15-aluminatetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaen-1-yl)-trimethylsilane

C22H31AlSi2 — CID 16699411

IUPAC(15-ethyl-8-trimethylsilyl-15-aluminatetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaen-1-yl)-trimethylsilane
SMILESCC[Al]1C2([Si](C)(C)C)c3ccccc3C1([Si](C)(C)C)c1ccccc12
InChIInChI=1S/C20H26Si2.C2H5.Al/c1-21(2,3)19-15-11-7-9-13-17(15)20(22(4,5)6)18-14-10-8-12-16(18)19;1-2;/h7-14H,1-6H3;1H2,2H3;
InChIKeyGTQJQPLRLUNNNY-UHFFFAOYSA-N
MW378.64 g/mol
LogP5.93
Rot. Bonds3

About (15-ethyl-8-trimethylsilyl-15-aluminatetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaen-1-yl)-trimethylsilane

(15-ethyl-8-trimethylsilyl-15-aluminatetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaen-1-yl)-trimethylsilane (PubChem CID 16699411) has the molecular formula C22H31AlSi2 and a molecular weight of 378.64 g/mol. Its IUPAC name is (15-ethyl-8-trimethylsilyl-15-aluminatetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaen-1-yl)-trimethylsilane.

Molecular Properties

Compound Name(15-ethyl-8-trimethylsilyl-15-aluminatetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaen-1-yl)-trimethylsilane
PubChem CID16699411
Molecular FormulaC22H31AlSi2
Molecular Weight378.64 g/mol
Exact Mass378.18
IUPAC Name(15-ethyl-8-trimethylsilyl-15-aluminatetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaen-1-yl)-trimethylsilane
SMILESCC[Al]1C2([Si](C)(C)C)c3ccccc3C1([Si](C)(C)C)c1ccccc12
InChIInChI=1S/C20H26Si2.C2H5.Al/c1-21(2,3)19-15-11-7-9-13-17(15)20(22(4,5)6)18-14-10-8-12-16(18)19;1-2;/h7-14H,1-6H3;1H2,2H3;
InChIKeyGTQJQPLRLUNNNY-UHFFFAOYSA-N
XLogP5.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.64
LogP ≤ 55.93
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 (15-ethyl-8-trimethylsilyl-15-aluminatetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaen-1-yl)-trimethylsilane?
The IUPAC name of (15-ethyl-8-trimethylsilyl-15-aluminatetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaen-1-yl)-trimethylsilane (CID 16699411) is (15-ethyl-8-trimethylsilyl-15-aluminatetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaen-1-yl)-trimethylsilane.
What is the SMILES notation for (15-ethyl-8-trimethylsilyl-15-aluminatetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaen-1-yl)-trimethylsilane?
The canonical SMILES for (15-ethyl-8-trimethylsilyl-15-aluminatetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaen-1-yl)-trimethylsilane is CC[Al]1C2([Si](C)(C)C)c3ccccc3C1([Si](C)(C)C)c1ccccc12.
What is the InChIKey of (15-ethyl-8-trimethylsilyl-15-aluminatetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaen-1-yl)-trimethylsilane?
The InChIKey is GTQJQPLRLUNNNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26Si2.C2H5.Al/c1-21(2,3)19-15-11-7-9-13-17(15)20(22(4,5)6)18-14-10-8-12-16(18)19;1-2;/h7-14H,1-6H3;1H2,2H3;.
What are the key properties of (15-ethyl-8-trimethylsilyl-15-aluminatetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaen-1-yl)-trimethylsilane?
(15-ethyl-8-trimethylsilyl-15-aluminatetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaen-1-yl)-trimethylsilane has a molecular weight of 378.64 g/mol, XLogP of 5.93, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (15-ethyl-8-trimethylsilyl-15-aluminatetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaen-1-yl)-trimethylsilane is sourced from PubChem (CID 16699411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).