tert-butyl-(3,4-dimethylcyclopenta-2,4-dien-1-yl)oxy-dimethylsilane

C13H24OSi — CID 15810785

IUPACtert-butyl-(3,4-dimethylcyclopenta-2,4-dien-1-yl)oxy-dimethylsilane
SMILESCC1=CC(O[Si](C)(C)C(C)(C)C)C=C1C
InChIInChI=1S/C13H24OSi/c1-10-8-12(9-11(10)2)14-15(6,7)13(3,4)5/h8-9,12H,1-7H3
InChIKeyPGESKGIWFABVJP-UHFFFAOYSA-N
MW224.42 g/mol
LogP4.28
Rot. Bonds2

About tert-butyl-(3,4-dimethylcyclopenta-2,4-dien-1-yl)oxy-dimethylsilane

tert-butyl-(3,4-dimethylcyclopenta-2,4-dien-1-yl)oxy-dimethylsilane (PubChem CID 15810785) has the molecular formula C13H24OSi and a molecular weight of 224.42 g/mol. Its IUPAC name is tert-butyl-(3,4-dimethylcyclopenta-2,4-dien-1-yl)oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-(3,4-dimethylcyclopenta-2,4-dien-1-yl)oxy-dimethylsilane
PubChem CID15810785
Molecular FormulaC13H24OSi
Molecular Weight224.42 g/mol
Exact Mass224.16
IUPAC Nametert-butyl-(3,4-dimethylcyclopenta-2,4-dien-1-yl)oxy-dimethylsilane
SMILESCC1=CC(O[Si](C)(C)C(C)(C)C)C=C1C
InChIInChI=1S/C13H24OSi/c1-10-8-12(9-11(10)2)14-15(6,7)13(3,4)5/h8-9,12H,1-7H3
InChIKeyPGESKGIWFABVJP-UHFFFAOYSA-N
XLogP4.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.42
LogP ≤ 54.28
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-(3,4-dimethylcyclopenta-2,4-dien-1-yl)oxy-dimethylsilane?
The IUPAC name of tert-butyl-(3,4-dimethylcyclopenta-2,4-dien-1-yl)oxy-dimethylsilane (CID 15810785) is tert-butyl-(3,4-dimethylcyclopenta-2,4-dien-1-yl)oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-(3,4-dimethylcyclopenta-2,4-dien-1-yl)oxy-dimethylsilane?
The canonical SMILES for tert-butyl-(3,4-dimethylcyclopenta-2,4-dien-1-yl)oxy-dimethylsilane is CC1=CC(O[Si](C)(C)C(C)(C)C)C=C1C.
What is the InChIKey of tert-butyl-(3,4-dimethylcyclopenta-2,4-dien-1-yl)oxy-dimethylsilane?
The InChIKey is PGESKGIWFABVJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24OSi/c1-10-8-12(9-11(10)2)14-15(6,7)13(3,4)5/h8-9,12H,1-7H3.
What are the key properties of tert-butyl-(3,4-dimethylcyclopenta-2,4-dien-1-yl)oxy-dimethylsilane?
tert-butyl-(3,4-dimethylcyclopenta-2,4-dien-1-yl)oxy-dimethylsilane has a molecular weight of 224.42 g/mol, XLogP of 4.28, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(3,4-dimethylcyclopenta-2,4-dien-1-yl)oxy-dimethylsilane is sourced from PubChem (CID 15810785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).