triethyl-[(1R,4S)-4-triethylsilyloxy-1-(3-trimethylsilylprop-2-ynyl)cyclopent-2-en-1-yl]oxysilane

C23H46O2Si3 — CID 139926309

IUPACtriethyl-[(1R,4S)-4-triethylsilyloxy-1-(3-trimethylsilylprop-2-ynyl)cyclopent-2-en-1-yl]oxysilane
SMILESCC[Si](CC)(CC)O[C@@H]1C=C[C@](CC#C[Si](C)(C)C)(O[Si](CC)(CC)CC)C1
InChIInChI=1S/C23H46O2Si3/c1-10-27(11-2,12-3)24-22-17-19-23(21-22,18-16-20-26(7,8)9)25-28(13-4,14-5)15-6/h17,19,22H,10-15,18,21H2,1-9H3/t22-,23+/m1/s1
InChIKeyGQIYSYYLNCMHLK-PKTZIBPZSA-N
MW438.88 g/mol
LogP7.37
Rot. Bonds11

About triethyl-[(1R,4S)-4-triethylsilyloxy-1-(3-trimethylsilylprop-2-ynyl)cyclopent-2-en-1-yl]oxysilane

triethyl-[(1R,4S)-4-triethylsilyloxy-1-(3-trimethylsilylprop-2-ynyl)cyclopent-2-en-1-yl]oxysilane (PubChem CID 139926309) has the molecular formula C23H46O2Si3 and a molecular weight of 438.88 g/mol. Its IUPAC name is triethyl-[(1R,4S)-4-triethylsilyloxy-1-(3-trimethylsilylprop-2-ynyl)cyclopent-2-en-1-yl]oxysilane.

Molecular Properties

Compound Nametriethyl-[(1R,4S)-4-triethylsilyloxy-1-(3-trimethylsilylprop-2-ynyl)cyclopent-2-en-1-yl]oxysilane
PubChem CID139926309
Molecular FormulaC23H46O2Si3
Molecular Weight438.88 g/mol
Exact Mass438.28
IUPAC Nametriethyl-[(1R,4S)-4-triethylsilyloxy-1-(3-trimethylsilylprop-2-ynyl)cyclopent-2-en-1-yl]oxysilane
SMILESCC[Si](CC)(CC)O[C@@H]1C=C[C@](CC#C[Si](C)(C)C)(O[Si](CC)(CC)CC)C1
InChIInChI=1S/C23H46O2Si3/c1-10-27(11-2,12-3)24-22-17-19-23(21-22,18-16-20-26(7,8)9)25-28(13-4,14-5)15-6/h17,19,22H,10-15,18,21H2,1-9H3/t22-,23+/m1/s1
InChIKeyGQIYSYYLNCMHLK-PKTZIBPZSA-N
XLogP7.37
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.88
LogP ≤ 57.37
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of triethyl-[(1R,4S)-4-triethylsilyloxy-1-(3-trimethylsilylprop-2-ynyl)cyclopent-2-en-1-yl]oxysilane?
The IUPAC name of triethyl-[(1R,4S)-4-triethylsilyloxy-1-(3-trimethylsilylprop-2-ynyl)cyclopent-2-en-1-yl]oxysilane (CID 139926309) is triethyl-[(1R,4S)-4-triethylsilyloxy-1-(3-trimethylsilylprop-2-ynyl)cyclopent-2-en-1-yl]oxysilane.
What is the SMILES notation for triethyl-[(1R,4S)-4-triethylsilyloxy-1-(3-trimethylsilylprop-2-ynyl)cyclopent-2-en-1-yl]oxysilane?
The canonical SMILES for triethyl-[(1R,4S)-4-triethylsilyloxy-1-(3-trimethylsilylprop-2-ynyl)cyclopent-2-en-1-yl]oxysilane is CC[Si](CC)(CC)O[C@@H]1C=C[C@](CC#C[Si](C)(C)C)(O[Si](CC)(CC)CC)C1.
What is the InChIKey of triethyl-[(1R,4S)-4-triethylsilyloxy-1-(3-trimethylsilylprop-2-ynyl)cyclopent-2-en-1-yl]oxysilane?
The InChIKey is GQIYSYYLNCMHLK-PKTZIBPZSA-N. The full InChI is InChI=1S/C23H46O2Si3/c1-10-27(11-2,12-3)24-22-17-19-23(21-22,18-16-20-26(7,8)9)25-28(13-4,14-5)15-6/h17,19,22H,10-15,18,21H2,1-9H3/t22-,23+/m1/s1.
What are the key properties of triethyl-[(1R,4S)-4-triethylsilyloxy-1-(3-trimethylsilylprop-2-ynyl)cyclopent-2-en-1-yl]oxysilane?
triethyl-[(1R,4S)-4-triethylsilyloxy-1-(3-trimethylsilylprop-2-ynyl)cyclopent-2-en-1-yl]oxysilane has a molecular weight of 438.88 g/mol, XLogP of 7.37, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[(1R,4S)-4-triethylsilyloxy-1-(3-trimethylsilylprop-2-ynyl)cyclopent-2-en-1-yl]oxysilane is sourced from PubChem (CID 139926309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).