tert-butyl-[(1R,4S)-4-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-3-trimethylsilylcyclopent-2-en-1-yl]oxy-dimethylsilane

C23H48O2Si3 — CID 101257602

IUPACtert-butyl-[(1R,4S)-4-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-3-trimethylsilylcyclopent-2-en-1-yl]oxy-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC/C=C/[C@@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)C=C1[Si](C)(C)C
InChIInChI=1S/C23H48O2Si3/c1-22(2,3)27(10,11)24-16-14-15-19-17-20(18-21(19)26(7,8)9)25-28(12,13)23(4,5)6/h14-15,18-20H,16-17H2,1-13H3/b15-14+/t19-,20-/m1/s1
InChIKeyDOSWBBXWSGHNDD-ICQOZSIZSA-N
MW440.89 g/mol
LogP7.78
Rot. Bonds7

About tert-butyl-[(1R,4S)-4-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-3-trimethylsilylcyclopent-2-en-1-yl]oxy-dimethylsilane

tert-butyl-[(1R,4S)-4-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-3-trimethylsilylcyclopent-2-en-1-yl]oxy-dimethylsilane (PubChem CID 101257602) has the molecular formula C23H48O2Si3 and a molecular weight of 440.89 g/mol. Its IUPAC name is tert-butyl-[(1R,4S)-4-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-3-trimethylsilylcyclopent-2-en-1-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1R,4S)-4-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-3-trimethylsilylcyclopent-2-en-1-yl]oxy-dimethylsilane
PubChem CID101257602
Molecular FormulaC23H48O2Si3
Molecular Weight440.89 g/mol
Exact Mass440.30
IUPAC Nametert-butyl-[(1R,4S)-4-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-3-trimethylsilylcyclopent-2-en-1-yl]oxy-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC/C=C/[C@@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)C=C1[Si](C)(C)C
InChIInChI=1S/C23H48O2Si3/c1-22(2,3)27(10,11)24-16-14-15-19-17-20(18-21(19)26(7,8)9)25-28(12,13)23(4,5)6/h14-15,18-20H,16-17H2,1-13H3/b15-14+/t19-,20-/m1/s1
InChIKeyDOSWBBXWSGHNDD-ICQOZSIZSA-N
XLogP7.78
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.89
LogP ≤ 57.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[(1R,4S)-4-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-3-trimethylsilylcyclopent-2-en-1-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(1R,4S)-4-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-3-trimethylsilylcyclopent-2-en-1-yl]oxy-dimethylsilane (CID 101257602) is tert-butyl-[(1R,4S)-4-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-3-trimethylsilylcyclopent-2-en-1-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1R,4S)-4-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-3-trimethylsilylcyclopent-2-en-1-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(1R,4S)-4-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-3-trimethylsilylcyclopent-2-en-1-yl]oxy-dimethylsilane is CC(C)(C)[Si](C)(C)OC/C=C/[C@@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)C=C1[Si](C)(C)C.
What is the InChIKey of tert-butyl-[(1R,4S)-4-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-3-trimethylsilylcyclopent-2-en-1-yl]oxy-dimethylsilane?
The InChIKey is DOSWBBXWSGHNDD-ICQOZSIZSA-N. The full InChI is InChI=1S/C23H48O2Si3/c1-22(2,3)27(10,11)24-16-14-15-19-17-20(18-21(19)26(7,8)9)25-28(12,13)23(4,5)6/h14-15,18-20H,16-17H2,1-13H3/b15-14+/t19-,20-/m1/s1.
What are the key properties of tert-butyl-[(1R,4S)-4-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-3-trimethylsilylcyclopent-2-en-1-yl]oxy-dimethylsilane?
tert-butyl-[(1R,4S)-4-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-3-trimethylsilylcyclopent-2-en-1-yl]oxy-dimethylsilane has a molecular weight of 440.89 g/mol, XLogP of 7.78, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1R,4S)-4-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-3-trimethylsilylcyclopent-2-en-1-yl]oxy-dimethylsilane is sourced from PubChem (CID 101257602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).