(2,3-ditert-butylcycloprop-2-en-1-yl)-bis(trimethylsilyl)-trimethylsilyloxysilane

C20H46OSi4 — CID 101268995

IUPAC(2,3-ditert-butylcycloprop-2-en-1-yl)-bis(trimethylsilyl)-trimethylsilyloxysilane
SMILESCC(C)(C)C1=C(C(C)(C)C)C1[Si](O[Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C20H46OSi4/c1-19(2,3)16-17(20(4,5)6)18(16)25(23(10,11)12,24(13,14)15)21-22(7,8)9/h18H,1-15H3
InChIKeyXJRYCGLILLPGCV-UHFFFAOYSA-N
MW414.93 g/mol
LogP7.39
Rot. Bonds5

About (2,3-ditert-butylcycloprop-2-en-1-yl)-bis(trimethylsilyl)-trimethylsilyloxysilane

(2,3-ditert-butylcycloprop-2-en-1-yl)-bis(trimethylsilyl)-trimethylsilyloxysilane (PubChem CID 101268995) has the molecular formula C20H46OSi4 and a molecular weight of 414.93 g/mol. Its IUPAC name is (2,3-ditert-butylcycloprop-2-en-1-yl)-bis(trimethylsilyl)-trimethylsilyloxysilane.

Molecular Properties

Compound Name(2,3-ditert-butylcycloprop-2-en-1-yl)-bis(trimethylsilyl)-trimethylsilyloxysilane
PubChem CID101268995
Molecular FormulaC20H46OSi4
Molecular Weight414.93 g/mol
Exact Mass414.26
IUPAC Name(2,3-ditert-butylcycloprop-2-en-1-yl)-bis(trimethylsilyl)-trimethylsilyloxysilane
SMILESCC(C)(C)C1=C(C(C)(C)C)C1[Si](O[Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C20H46OSi4/c1-19(2,3)16-17(20(4,5)6)18(16)25(23(10,11)12,24(13,14)15)21-22(7,8)9/h18H,1-15H3
InChIKeyXJRYCGLILLPGCV-UHFFFAOYSA-N
XLogP7.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.93
LogP ≤ 57.39
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 (2,3-ditert-butylcycloprop-2-en-1-yl)-bis(trimethylsilyl)-trimethylsilyloxysilane?
The IUPAC name of (2,3-ditert-butylcycloprop-2-en-1-yl)-bis(trimethylsilyl)-trimethylsilyloxysilane (CID 101268995) is (2,3-ditert-butylcycloprop-2-en-1-yl)-bis(trimethylsilyl)-trimethylsilyloxysilane.
What is the SMILES notation for (2,3-ditert-butylcycloprop-2-en-1-yl)-bis(trimethylsilyl)-trimethylsilyloxysilane?
The canonical SMILES for (2,3-ditert-butylcycloprop-2-en-1-yl)-bis(trimethylsilyl)-trimethylsilyloxysilane is CC(C)(C)C1=C(C(C)(C)C)C1[Si](O[Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C.
What is the InChIKey of (2,3-ditert-butylcycloprop-2-en-1-yl)-bis(trimethylsilyl)-trimethylsilyloxysilane?
The InChIKey is XJRYCGLILLPGCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H46OSi4/c1-19(2,3)16-17(20(4,5)6)18(16)25(23(10,11)12,24(13,14)15)21-22(7,8)9/h18H,1-15H3.
What are the key properties of (2,3-ditert-butylcycloprop-2-en-1-yl)-bis(trimethylsilyl)-trimethylsilyloxysilane?
(2,3-ditert-butylcycloprop-2-en-1-yl)-bis(trimethylsilyl)-trimethylsilyloxysilane has a molecular weight of 414.93 g/mol, XLogP of 7.39, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-ditert-butylcycloprop-2-en-1-yl)-bis(trimethylsilyl)-trimethylsilyloxysilane is sourced from PubChem (CID 101268995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).