2,4,5,6,7,8-hexahydroazulen-2-yl-dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane

C21H32Si — CID 54044646

IUPAC2,4,5,6,7,8-hexahydroazulen-2-yl-dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
SMILESCC1=C(C)C([Si](C)(C)C2C=C3CCCCCC3=C2)C(C)=C1C
InChIInChI=1S/C21H32Si/c1-14-15(2)17(4)21(16(14)3)22(5,6)20-12-18-10-8-7-9-11-19(18)13-20/h12-13,20-21H,7-11H2,1-6H3
InChIKeyLOSGDKHVQFYGTQ-UHFFFAOYSA-N
MW312.57 g/mol
LogP6.95
Rot. Bonds2

About 2,4,5,6,7,8-hexahydroazulen-2-yl-dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane

2,4,5,6,7,8-hexahydroazulen-2-yl-dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane (PubChem CID 54044646) has the molecular formula C21H32Si and a molecular weight of 312.57 g/mol. Its IUPAC name is 2,4,5,6,7,8-hexahydroazulen-2-yl-dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane.

Molecular Properties

Compound Name2,4,5,6,7,8-hexahydroazulen-2-yl-dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
PubChem CID54044646
Molecular FormulaC21H32Si
Molecular Weight312.57 g/mol
Exact Mass312.23
IUPAC Name2,4,5,6,7,8-hexahydroazulen-2-yl-dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
SMILESCC1=C(C)C([Si](C)(C)C2C=C3CCCCCC3=C2)C(C)=C1C
InChIInChI=1S/C21H32Si/c1-14-15(2)17(4)21(16(14)3)22(5,6)20-12-18-10-8-7-9-11-19(18)13-20/h12-13,20-21H,7-11H2,1-6H3
InChIKeyLOSGDKHVQFYGTQ-UHFFFAOYSA-N
XLogP6.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.57
LogP ≤ 56.95
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-dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane?
The IUPAC name of 2,4,5,6,7,8-hexahydroazulen-2-yl-dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane (CID 54044646) is 2,4,5,6,7,8-hexahydroazulen-2-yl-dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane.
What is the SMILES notation for 2,4,5,6,7,8-hexahydroazulen-2-yl-dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane?
The canonical SMILES for 2,4,5,6,7,8-hexahydroazulen-2-yl-dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane is CC1=C(C)C([Si](C)(C)C2C=C3CCCCCC3=C2)C(C)=C1C.
What is the InChIKey of 2,4,5,6,7,8-hexahydroazulen-2-yl-dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane?
The InChIKey is LOSGDKHVQFYGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32Si/c1-14-15(2)17(4)21(16(14)3)22(5,6)20-12-18-10-8-7-9-11-19(18)13-20/h12-13,20-21H,7-11H2,1-6H3.
What are the key properties of 2,4,5,6,7,8-hexahydroazulen-2-yl-dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane?
2,4,5,6,7,8-hexahydroazulen-2-yl-dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane has a molecular weight of 312.57 g/mol, XLogP of 6.95, 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-dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane is sourced from PubChem (CID 54044646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).