bis(2,4,5,6,7,8-hexahydroazulen-2-yl)-dimethylsilane

C22H32Si — CID 10914335

IUPACbis(2,4,5,6,7,8-hexahydroazulen-2-yl)-dimethylsilane
SMILESC[Si](C)(C1C=C2CCCCCC2=C1)C1C=C2CCCCCC2=C1
InChIInChI=1S/C22H32Si/c1-23(2,21-13-17-9-5-3-6-10-18(17)14-21)22-15-19-11-7-4-8-12-20(19)16-22/h13-16,21-22H,3-12H2,1-2H3
InChIKeyLXYHUSHNWGBXCC-UHFFFAOYSA-N
MW324.58 g/mol
LogP7.10
Rot. Bonds2

About bis(2,4,5,6,7,8-hexahydroazulen-2-yl)-dimethylsilane

bis(2,4,5,6,7,8-hexahydroazulen-2-yl)-dimethylsilane (PubChem CID 10914335) has the molecular formula C22H32Si and a molecular weight of 324.58 g/mol. Its IUPAC name is bis(2,4,5,6,7,8-hexahydroazulen-2-yl)-dimethylsilane.

Molecular Properties

Compound Namebis(2,4,5,6,7,8-hexahydroazulen-2-yl)-dimethylsilane
PubChem CID10914335
Molecular FormulaC22H32Si
Molecular Weight324.58 g/mol
Exact Mass324.23
IUPAC Namebis(2,4,5,6,7,8-hexahydroazulen-2-yl)-dimethylsilane
SMILESC[Si](C)(C1C=C2CCCCCC2=C1)C1C=C2CCCCCC2=C1
InChIInChI=1S/C22H32Si/c1-23(2,21-13-17-9-5-3-6-10-18(17)14-21)22-15-19-11-7-4-8-12-20(19)16-22/h13-16,21-22H,3-12H2,1-2H3
InChIKeyLXYHUSHNWGBXCC-UHFFFAOYSA-N
XLogP7.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.58
LogP ≤ 57.10
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 bis(2,4,5,6,7,8-hexahydroazulen-2-yl)-dimethylsilane?
The IUPAC name of bis(2,4,5,6,7,8-hexahydroazulen-2-yl)-dimethylsilane (CID 10914335) is bis(2,4,5,6,7,8-hexahydroazulen-2-yl)-dimethylsilane.
What is the SMILES notation for bis(2,4,5,6,7,8-hexahydroazulen-2-yl)-dimethylsilane?
The canonical SMILES for bis(2,4,5,6,7,8-hexahydroazulen-2-yl)-dimethylsilane is C[Si](C)(C1C=C2CCCCCC2=C1)C1C=C2CCCCCC2=C1.
What is the InChIKey of bis(2,4,5,6,7,8-hexahydroazulen-2-yl)-dimethylsilane?
The InChIKey is LXYHUSHNWGBXCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32Si/c1-23(2,21-13-17-9-5-3-6-10-18(17)14-21)22-15-19-11-7-4-8-12-20(19)16-22/h13-16,21-22H,3-12H2,1-2H3.
What are the key properties of bis(2,4,5,6,7,8-hexahydroazulen-2-yl)-dimethylsilane?
bis(2,4,5,6,7,8-hexahydroazulen-2-yl)-dimethylsilane has a molecular weight of 324.58 g/mol, XLogP of 7.10, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,4,5,6,7,8-hexahydroazulen-2-yl)-dimethylsilane is sourced from PubChem (CID 10914335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).