bis(1,3a-dihydroazulen-1-yl)-dimethylsilane

C22H24Si — CID 66779572

IUPACbis(1,3a-dihydroazulen-1-yl)-dimethylsilane
SMILESC[Si](C)(C1C=CC2C=CC=CC=C21)C1C=CC2C=CC=CC=C21
InChIInChI=1S/C22H24Si/c1-23(2,21-15-13-17-9-5-3-7-11-19(17)21)22-16-14-18-10-6-4-8-12-20(18)22/h3-18,21-22H,1-2H3
InChIKeyYGFDTFYXGOFGIG-UHFFFAOYSA-N
MW316.52 g/mol
LogP5.91
Rot. Bonds2

About bis(1,3a-dihydroazulen-1-yl)-dimethylsilane

bis(1,3a-dihydroazulen-1-yl)-dimethylsilane (PubChem CID 66779572) has the molecular formula C22H24Si and a molecular weight of 316.52 g/mol. Its IUPAC name is bis(1,3a-dihydroazulen-1-yl)-dimethylsilane.

Molecular Properties

Compound Namebis(1,3a-dihydroazulen-1-yl)-dimethylsilane
PubChem CID66779572
Molecular FormulaC22H24Si
Molecular Weight316.52 g/mol
Exact Mass316.16
IUPAC Namebis(1,3a-dihydroazulen-1-yl)-dimethylsilane
SMILESC[Si](C)(C1C=CC2C=CC=CC=C21)C1C=CC2C=CC=CC=C21
InChIInChI=1S/C22H24Si/c1-23(2,21-15-13-17-9-5-3-7-11-19(17)21)22-16-14-18-10-6-4-8-12-20(18)22/h3-18,21-22H,1-2H3
InChIKeyYGFDTFYXGOFGIG-UHFFFAOYSA-N
XLogP5.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.52
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(1,3a-dihydroazulen-1-yl)-dimethylsilane?
The IUPAC name of bis(1,3a-dihydroazulen-1-yl)-dimethylsilane (CID 66779572) is bis(1,3a-dihydroazulen-1-yl)-dimethylsilane.
What is the SMILES notation for bis(1,3a-dihydroazulen-1-yl)-dimethylsilane?
The canonical SMILES for bis(1,3a-dihydroazulen-1-yl)-dimethylsilane is C[Si](C)(C1C=CC2C=CC=CC=C21)C1C=CC2C=CC=CC=C21.
What is the InChIKey of bis(1,3a-dihydroazulen-1-yl)-dimethylsilane?
The InChIKey is YGFDTFYXGOFGIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24Si/c1-23(2,21-15-13-17-9-5-3-7-11-19(17)21)22-16-14-18-10-6-4-8-12-20(18)22/h3-18,21-22H,1-2H3.
What are the key properties of bis(1,3a-dihydroazulen-1-yl)-dimethylsilane?
bis(1,3a-dihydroazulen-1-yl)-dimethylsilane has a molecular weight of 316.52 g/mol, XLogP of 5.91, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,3a-dihydroazulen-1-yl)-dimethylsilane is sourced from PubChem (CID 66779572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).