tert-butyl-dimethyl-(2,3,4-trimethylcyclopenta-2,4-dien-1-yl)oxysilane

C14H26OSi — CID 22643808

IUPACtert-butyl-dimethyl-(2,3,4-trimethylcyclopenta-2,4-dien-1-yl)oxysilane
SMILESCC1=CC(O[Si](C)(C)C(C)(C)C)C(C)=C1C
InChIInChI=1S/C14H26OSi/c1-10-9-13(12(3)11(10)2)15-16(7,8)14(4,5)6/h9,13H,1-8H3
InChIKeyBCNZBOCBRXGRJF-UHFFFAOYSA-N
MW238.45 g/mol
LogP4.67
Rot. Bonds2

About tert-butyl-dimethyl-(2,3,4-trimethylcyclopenta-2,4-dien-1-yl)oxysilane

tert-butyl-dimethyl-(2,3,4-trimethylcyclopenta-2,4-dien-1-yl)oxysilane (PubChem CID 22643808) has the molecular formula C14H26OSi and a molecular weight of 238.45 g/mol. Its IUPAC name is tert-butyl-dimethyl-(2,3,4-trimethylcyclopenta-2,4-dien-1-yl)oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-(2,3,4-trimethylcyclopenta-2,4-dien-1-yl)oxysilane
PubChem CID22643808
Molecular FormulaC14H26OSi
Molecular Weight238.45 g/mol
Exact Mass238.18
IUPAC Nametert-butyl-dimethyl-(2,3,4-trimethylcyclopenta-2,4-dien-1-yl)oxysilane
SMILESCC1=CC(O[Si](C)(C)C(C)(C)C)C(C)=C1C
InChIInChI=1S/C14H26OSi/c1-10-9-13(12(3)11(10)2)15-16(7,8)14(4,5)6/h9,13H,1-8H3
InChIKeyBCNZBOCBRXGRJF-UHFFFAOYSA-N
XLogP4.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.45
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 tert-butyl-dimethyl-(2,3,4-trimethylcyclopenta-2,4-dien-1-yl)oxysilane?
The IUPAC name of tert-butyl-dimethyl-(2,3,4-trimethylcyclopenta-2,4-dien-1-yl)oxysilane (CID 22643808) is tert-butyl-dimethyl-(2,3,4-trimethylcyclopenta-2,4-dien-1-yl)oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-(2,3,4-trimethylcyclopenta-2,4-dien-1-yl)oxysilane?
The canonical SMILES for tert-butyl-dimethyl-(2,3,4-trimethylcyclopenta-2,4-dien-1-yl)oxysilane is CC1=CC(O[Si](C)(C)C(C)(C)C)C(C)=C1C.
What is the InChIKey of tert-butyl-dimethyl-(2,3,4-trimethylcyclopenta-2,4-dien-1-yl)oxysilane?
The InChIKey is BCNZBOCBRXGRJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26OSi/c1-10-9-13(12(3)11(10)2)15-16(7,8)14(4,5)6/h9,13H,1-8H3.
What are the key properties of tert-butyl-dimethyl-(2,3,4-trimethylcyclopenta-2,4-dien-1-yl)oxysilane?
tert-butyl-dimethyl-(2,3,4-trimethylcyclopenta-2,4-dien-1-yl)oxysilane has a molecular weight of 238.45 g/mol, XLogP of 4.67, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-(2,3,4-trimethylcyclopenta-2,4-dien-1-yl)oxysilane is sourced from PubChem (CID 22643808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).