tert-butyl-[5-[2-[5-[tert-butyl(dimethyl)silyl]oxycyclopenta-1,4-dien-1-yl]ethyl]cyclopenta-1,4-dien-1-yl]oxy-dimethylsilane

C24H42O2Si2 — CID 90712803

IUPACtert-butyl-[5-[2-[5-[tert-butyl(dimethyl)silyl]oxycyclopenta-1,4-dien-1-yl]ethyl]cyclopenta-1,4-dien-1-yl]oxy-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC1=CCC=C1CCC1=CCC=C1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H42O2Si2/c1-23(2,3)27(7,8)25-21-15-11-13-19(21)17-18-20-14-12-16-22(20)26-28(9,10)24(4,5)6/h13-16H,11-12,17-18H2,1-10H3
InChIKeyUZCPTWLDRFLXKI-UHFFFAOYSA-N
MW418.77 g/mol
LogP8.24
Rot. Bonds7

About tert-butyl-[5-[2-[5-[tert-butyl(dimethyl)silyl]oxycyclopenta-1,4-dien-1-yl]ethyl]cyclopenta-1,4-dien-1-yl]oxy-dimethylsilane

tert-butyl-[5-[2-[5-[tert-butyl(dimethyl)silyl]oxycyclopenta-1,4-dien-1-yl]ethyl]cyclopenta-1,4-dien-1-yl]oxy-dimethylsilane (PubChem CID 90712803) has the molecular formula C24H42O2Si2 and a molecular weight of 418.77 g/mol. Its IUPAC name is tert-butyl-[5-[2-[5-[tert-butyl(dimethyl)silyl]oxycyclopenta-1,4-dien-1-yl]ethyl]cyclopenta-1,4-dien-1-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[5-[2-[5-[tert-butyl(dimethyl)silyl]oxycyclopenta-1,4-dien-1-yl]ethyl]cyclopenta-1,4-dien-1-yl]oxy-dimethylsilane
PubChem CID90712803
Molecular FormulaC24H42O2Si2
Molecular Weight418.77 g/mol
Exact Mass418.27
IUPAC Nametert-butyl-[5-[2-[5-[tert-butyl(dimethyl)silyl]oxycyclopenta-1,4-dien-1-yl]ethyl]cyclopenta-1,4-dien-1-yl]oxy-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC1=CCC=C1CCC1=CCC=C1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H42O2Si2/c1-23(2,3)27(7,8)25-21-15-11-13-19(21)17-18-20-14-12-16-22(20)26-28(9,10)24(4,5)6/h13-16H,11-12,17-18H2,1-10H3
InChIKeyUZCPTWLDRFLXKI-UHFFFAOYSA-N
XLogP8.24
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.77
LogP ≤ 58.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze tert-butyl-[5-[2-[5-[tert-butyl(dimethyl)silyl]oxycyclopenta-1,4-dien-1-yl]ethyl]cyclopenta-1,4-dien-1-yl]oxy-dimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[5-[2-[5-[tert-butyl(dimethyl)silyl]oxycyclopenta-1,4-dien-1-yl]ethyl]cyclopenta-1,4-dien-1-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[5-[2-[5-[tert-butyl(dimethyl)silyl]oxycyclopenta-1,4-dien-1-yl]ethyl]cyclopenta-1,4-dien-1-yl]oxy-dimethylsilane (CID 90712803) is tert-butyl-[5-[2-[5-[tert-butyl(dimethyl)silyl]oxycyclopenta-1,4-dien-1-yl]ethyl]cyclopenta-1,4-dien-1-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[5-[2-[5-[tert-butyl(dimethyl)silyl]oxycyclopenta-1,4-dien-1-yl]ethyl]cyclopenta-1,4-dien-1-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[5-[2-[5-[tert-butyl(dimethyl)silyl]oxycyclopenta-1,4-dien-1-yl]ethyl]cyclopenta-1,4-dien-1-yl]oxy-dimethylsilane is CC(C)(C)[Si](C)(C)OC1=CCC=C1CCC1=CCC=C1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[5-[2-[5-[tert-butyl(dimethyl)silyl]oxycyclopenta-1,4-dien-1-yl]ethyl]cyclopenta-1,4-dien-1-yl]oxy-dimethylsilane?
The InChIKey is UZCPTWLDRFLXKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42O2Si2/c1-23(2,3)27(7,8)25-21-15-11-13-19(21)17-18-20-14-12-16-22(20)26-28(9,10)24(4,5)6/h13-16H,11-12,17-18H2,1-10H3.
What are the key properties of tert-butyl-[5-[2-[5-[tert-butyl(dimethyl)silyl]oxycyclopenta-1,4-dien-1-yl]ethyl]cyclopenta-1,4-dien-1-yl]oxy-dimethylsilane?
tert-butyl-[5-[2-[5-[tert-butyl(dimethyl)silyl]oxycyclopenta-1,4-dien-1-yl]ethyl]cyclopenta-1,4-dien-1-yl]oxy-dimethylsilane has a molecular weight of 418.77 g/mol, XLogP of 8.24, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[5-[2-[5-[tert-butyl(dimethyl)silyl]oxycyclopenta-1,4-dien-1-yl]ethyl]cyclopenta-1,4-dien-1-yl]oxy-dimethylsilane is sourced from PubChem (CID 90712803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).