tert-butyl-dichloro-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane

C13H22Cl2Si — CID 18720349

IUPACtert-butyl-dichloro-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
SMILESCC1=C(C)C([Si](Cl)(Cl)C(C)(C)C)C(C)=C1C
InChIInChI=1S/C13H22Cl2Si/c1-8-9(2)11(4)12(10(8)3)16(14,15)13(5,6)7/h12H,1-7H3
InChIKeyDWFHYCVDAMIRBX-UHFFFAOYSA-N
MW277.31 g/mol
LogP5.76
Rot. Bonds1

About tert-butyl-dichloro-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane

tert-butyl-dichloro-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane (PubChem CID 18720349) has the molecular formula C13H22Cl2Si and a molecular weight of 277.31 g/mol. Its IUPAC name is tert-butyl-dichloro-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane.

Molecular Properties

Compound Nametert-butyl-dichloro-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
PubChem CID18720349
Molecular FormulaC13H22Cl2Si
Molecular Weight277.31 g/mol
Exact Mass276.09
IUPAC Nametert-butyl-dichloro-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
SMILESCC1=C(C)C([Si](Cl)(Cl)C(C)(C)C)C(C)=C1C
InChIInChI=1S/C13H22Cl2Si/c1-8-9(2)11(4)12(10(8)3)16(14,15)13(5,6)7/h12H,1-7H3
InChIKeyDWFHYCVDAMIRBX-UHFFFAOYSA-N
XLogP5.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.31
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dichloro-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane?
The IUPAC name of tert-butyl-dichloro-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane (CID 18720349) is tert-butyl-dichloro-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane.
What is the SMILES notation for tert-butyl-dichloro-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane?
The canonical SMILES for tert-butyl-dichloro-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane is CC1=C(C)C([Si](Cl)(Cl)C(C)(C)C)C(C)=C1C.
What is the InChIKey of tert-butyl-dichloro-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane?
The InChIKey is DWFHYCVDAMIRBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22Cl2Si/c1-8-9(2)11(4)12(10(8)3)16(14,15)13(5,6)7/h12H,1-7H3.
What are the key properties of tert-butyl-dichloro-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane?
tert-butyl-dichloro-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane has a molecular weight of 277.31 g/mol, XLogP of 5.76, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dichloro-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane is sourced from PubChem (CID 18720349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).