tert-butyl-[(2,3-ditert-butylcycloprop-2-en-1-yl)-bis(trimethylsilyl)silyl]oxy-dimethylsilane

C23H52OSi4 — CID 101176149

IUPACtert-butyl-[(2,3-ditert-butylcycloprop-2-en-1-yl)-bis(trimethylsilyl)silyl]oxy-dimethylsilane
SMILESCC(C)(C)C1=C(C(C)(C)C)C1[Si](O[Si](C)(C)C(C)(C)C)([Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C23H52OSi4/c1-21(2,3)18-19(22(4,5)6)20(18)28(25(10,11)12,26(13,14)15)24-27(16,17)23(7,8)9/h20H,1-17H3
InChIKeyNFTDSZMEYBQLDK-UHFFFAOYSA-N
MW457.01 g/mol
LogP8.56
Rot. Bonds5

About tert-butyl-[(2,3-ditert-butylcycloprop-2-en-1-yl)-bis(trimethylsilyl)silyl]oxy-dimethylsilane

tert-butyl-[(2,3-ditert-butylcycloprop-2-en-1-yl)-bis(trimethylsilyl)silyl]oxy-dimethylsilane (PubChem CID 101176149) has the molecular formula C23H52OSi4 and a molecular weight of 457.01 g/mol. Its IUPAC name is tert-butyl-[(2,3-ditert-butylcycloprop-2-en-1-yl)-bis(trimethylsilyl)silyl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2,3-ditert-butylcycloprop-2-en-1-yl)-bis(trimethylsilyl)silyl]oxy-dimethylsilane
PubChem CID101176149
Molecular FormulaC23H52OSi4
Molecular Weight457.01 g/mol
Exact Mass456.31
IUPAC Nametert-butyl-[(2,3-ditert-butylcycloprop-2-en-1-yl)-bis(trimethylsilyl)silyl]oxy-dimethylsilane
SMILESCC(C)(C)C1=C(C(C)(C)C)C1[Si](O[Si](C)(C)C(C)(C)C)([Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C23H52OSi4/c1-21(2,3)18-19(22(4,5)6)20(18)28(25(10,11)12,26(13,14)15)24-27(16,17)23(7,8)9/h20H,1-17H3
InChIKeyNFTDSZMEYBQLDK-UHFFFAOYSA-N
XLogP8.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.01
LogP ≤ 58.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2,3-ditert-butylcycloprop-2-en-1-yl)-bis(trimethylsilyl)silyl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(2,3-ditert-butylcycloprop-2-en-1-yl)-bis(trimethylsilyl)silyl]oxy-dimethylsilane (CID 101176149) is tert-butyl-[(2,3-ditert-butylcycloprop-2-en-1-yl)-bis(trimethylsilyl)silyl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2,3-ditert-butylcycloprop-2-en-1-yl)-bis(trimethylsilyl)silyl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(2,3-ditert-butylcycloprop-2-en-1-yl)-bis(trimethylsilyl)silyl]oxy-dimethylsilane is CC(C)(C)C1=C(C(C)(C)C)C1[Si](O[Si](C)(C)C(C)(C)C)([Si](C)(C)C)[Si](C)(C)C.
What is the InChIKey of tert-butyl-[(2,3-ditert-butylcycloprop-2-en-1-yl)-bis(trimethylsilyl)silyl]oxy-dimethylsilane?
The InChIKey is NFTDSZMEYBQLDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H52OSi4/c1-21(2,3)18-19(22(4,5)6)20(18)28(25(10,11)12,26(13,14)15)24-27(16,17)23(7,8)9/h20H,1-17H3.
What are the key properties of tert-butyl-[(2,3-ditert-butylcycloprop-2-en-1-yl)-bis(trimethylsilyl)silyl]oxy-dimethylsilane?
tert-butyl-[(2,3-ditert-butylcycloprop-2-en-1-yl)-bis(trimethylsilyl)silyl]oxy-dimethylsilane has a molecular weight of 457.01 g/mol, XLogP of 8.56, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2,3-ditert-butylcycloprop-2-en-1-yl)-bis(trimethylsilyl)silyl]oxy-dimethylsilane is sourced from PubChem (CID 101176149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).