2,4,5,6,7,8-hexahydroazulen-2-yl-(4,5,6,7,8,9-hexahydro-2H-cyclopenta[8]annulen-2-yl)-dimethylsilane

C23H34Si — CID 54410776

IUPAC2,4,5,6,7,8-hexahydroazulen-2-yl-(4,5,6,7,8,9-hexahydro-2H-cyclopenta[8]annulen-2-yl)-dimethylsilane
SMILESC[Si](C)(C1C=C2CCCCCCC2=C1)C1C=C2CCCCCC2=C1
InChIInChI=1S/C23H34Si/c1-24(2,23-16-20-12-8-5-9-13-21(20)17-23)22-14-18-10-6-3-4-7-11-19(18)15-22/h14-17,22-23H,3-13H2,1-2H3
InChIKeyVTYOGBPPVDXJTC-UHFFFAOYSA-N
MW338.61 g/mol
LogP7.49
Rot. Bonds2

About 2,4,5,6,7,8-hexahydroazulen-2-yl-(4,5,6,7,8,9-hexahydro-2H-cyclopenta[8]annulen-2-yl)-dimethylsilane

2,4,5,6,7,8-hexahydroazulen-2-yl-(4,5,6,7,8,9-hexahydro-2H-cyclopenta[8]annulen-2-yl)-dimethylsilane (PubChem CID 54410776) has the molecular formula C23H34Si and a molecular weight of 338.61 g/mol. Its IUPAC name is 2,4,5,6,7,8-hexahydroazulen-2-yl-(4,5,6,7,8,9-hexahydro-2H-cyclopenta[8]annulen-2-yl)-dimethylsilane.

Molecular Properties

Compound Name2,4,5,6,7,8-hexahydroazulen-2-yl-(4,5,6,7,8,9-hexahydro-2H-cyclopenta[8]annulen-2-yl)-dimethylsilane
PubChem CID54410776
Molecular FormulaC23H34Si
Molecular Weight338.61 g/mol
Exact Mass338.24
IUPAC Name2,4,5,6,7,8-hexahydroazulen-2-yl-(4,5,6,7,8,9-hexahydro-2H-cyclopenta[8]annulen-2-yl)-dimethylsilane
SMILESC[Si](C)(C1C=C2CCCCCCC2=C1)C1C=C2CCCCCC2=C1
InChIInChI=1S/C23H34Si/c1-24(2,23-16-20-12-8-5-9-13-21(20)17-23)22-14-18-10-6-3-4-7-11-19(18)15-22/h14-17,22-23H,3-13H2,1-2H3
InChIKeyVTYOGBPPVDXJTC-UHFFFAOYSA-N
XLogP7.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.61
LogP ≤ 57.49
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 2,4,5,6,7,8-hexahydroazulen-2-yl-(4,5,6,7,8,9-hexahydro-2H-cyclopenta[8]annulen-2-yl)-dimethylsilane?
The IUPAC name of 2,4,5,6,7,8-hexahydroazulen-2-yl-(4,5,6,7,8,9-hexahydro-2H-cyclopenta[8]annulen-2-yl)-dimethylsilane (CID 54410776) is 2,4,5,6,7,8-hexahydroazulen-2-yl-(4,5,6,7,8,9-hexahydro-2H-cyclopenta[8]annulen-2-yl)-dimethylsilane.
What is the SMILES notation for 2,4,5,6,7,8-hexahydroazulen-2-yl-(4,5,6,7,8,9-hexahydro-2H-cyclopenta[8]annulen-2-yl)-dimethylsilane?
The canonical SMILES for 2,4,5,6,7,8-hexahydroazulen-2-yl-(4,5,6,7,8,9-hexahydro-2H-cyclopenta[8]annulen-2-yl)-dimethylsilane is C[Si](C)(C1C=C2CCCCCCC2=C1)C1C=C2CCCCCC2=C1.
What is the InChIKey of 2,4,5,6,7,8-hexahydroazulen-2-yl-(4,5,6,7,8,9-hexahydro-2H-cyclopenta[8]annulen-2-yl)-dimethylsilane?
The InChIKey is VTYOGBPPVDXJTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34Si/c1-24(2,23-16-20-12-8-5-9-13-21(20)17-23)22-14-18-10-6-3-4-7-11-19(18)15-22/h14-17,22-23H,3-13H2,1-2H3.
What are the key properties of 2,4,5,6,7,8-hexahydroazulen-2-yl-(4,5,6,7,8,9-hexahydro-2H-cyclopenta[8]annulen-2-yl)-dimethylsilane?
2,4,5,6,7,8-hexahydroazulen-2-yl-(4,5,6,7,8,9-hexahydro-2H-cyclopenta[8]annulen-2-yl)-dimethylsilane has a molecular weight of 338.61 g/mol, XLogP of 7.49, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5,6,7,8-hexahydroazulen-2-yl-(4,5,6,7,8,9-hexahydro-2H-cyclopenta[8]annulen-2-yl)-dimethylsilane is sourced from PubChem (CID 54410776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).