trimethyl-(2,3,4-tritert-butylcyclobuta-1,3-dien-1-yl)silane

C19H36Si — CID 15099147

IUPACtrimethyl-(2,3,4-tritert-butylcyclobuta-1,3-dien-1-yl)silane
SMILESCC(C)(C)C1=C(C(C)(C)C)C([Si](C)(C)C)=C1C(C)(C)C
InChIInChI=1S/C19H36Si/c1-17(2,3)13-14(18(4,5)6)16(20(10,11)12)15(13)19(7,8)9/h1-12H3
InChIKeyXBFCGAIGCRQIOP-UHFFFAOYSA-N
MW292.58 g/mol
LogP6.61
Rot. Bonds1

About trimethyl-(2,3,4-tritert-butylcyclobuta-1,3-dien-1-yl)silane

trimethyl-(2,3,4-tritert-butylcyclobuta-1,3-dien-1-yl)silane (PubChem CID 15099147) has the molecular formula C19H36Si and a molecular weight of 292.58 g/mol. Its IUPAC name is trimethyl-(2,3,4-tritert-butylcyclobuta-1,3-dien-1-yl)silane.

Molecular Properties

Compound Nametrimethyl-(2,3,4-tritert-butylcyclobuta-1,3-dien-1-yl)silane
PubChem CID15099147
Molecular FormulaC19H36Si
Molecular Weight292.58 g/mol
Exact Mass292.26
IUPAC Nametrimethyl-(2,3,4-tritert-butylcyclobuta-1,3-dien-1-yl)silane
SMILESCC(C)(C)C1=C(C(C)(C)C)C([Si](C)(C)C)=C1C(C)(C)C
InChIInChI=1S/C19H36Si/c1-17(2,3)13-14(18(4,5)6)16(20(10,11)12)15(13)19(7,8)9/h1-12H3
InChIKeyXBFCGAIGCRQIOP-UHFFFAOYSA-N
XLogP6.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.58
LogP ≤ 56.61
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 trimethyl-(2,3,4-tritert-butylcyclobuta-1,3-dien-1-yl)silane?
The IUPAC name of trimethyl-(2,3,4-tritert-butylcyclobuta-1,3-dien-1-yl)silane (CID 15099147) is trimethyl-(2,3,4-tritert-butylcyclobuta-1,3-dien-1-yl)silane.
What is the SMILES notation for trimethyl-(2,3,4-tritert-butylcyclobuta-1,3-dien-1-yl)silane?
The canonical SMILES for trimethyl-(2,3,4-tritert-butylcyclobuta-1,3-dien-1-yl)silane is CC(C)(C)C1=C(C(C)(C)C)C([Si](C)(C)C)=C1C(C)(C)C.
What is the InChIKey of trimethyl-(2,3,4-tritert-butylcyclobuta-1,3-dien-1-yl)silane?
The InChIKey is XBFCGAIGCRQIOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36Si/c1-17(2,3)13-14(18(4,5)6)16(20(10,11)12)15(13)19(7,8)9/h1-12H3.
What are the key properties of trimethyl-(2,3,4-tritert-butylcyclobuta-1,3-dien-1-yl)silane?
trimethyl-(2,3,4-tritert-butylcyclobuta-1,3-dien-1-yl)silane has a molecular weight of 292.58 g/mol, XLogP of 6.61, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-(2,3,4-tritert-butylcyclobuta-1,3-dien-1-yl)silane is sourced from PubChem (CID 15099147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).