triethyl-[(1R,4S)-1-(3-iodoprop-2-ynyl)-4-triethylsilyloxycyclopent-2-en-1-yl]oxysilane

C20H37IO2Si2 — CID 11214048

IUPACtriethyl-[(1R,4S)-1-(3-iodoprop-2-ynyl)-4-triethylsilyloxycyclopent-2-en-1-yl]oxysilane
SMILESCC[Si](CC)(CC)O[C@@H]1C=C[C@](CC#CI)(O[Si](CC)(CC)CC)C1
InChIInChI=1S/C20H37IO2Si2/c1-7-24(8-2,9-3)22-19-14-16-20(18-19,15-13-17-21)23-25(10-4,11-5)12-6/h14,16,19H,7-12,15,18H2,1-6H3/t19-,20+/m1/s1
InChIKeyAGSIUTCIQFDAIV-UXHICEINSA-N
MW492.59 g/mol
LogP6.88
Rot. Bonds11

About triethyl-[(1R,4S)-1-(3-iodoprop-2-ynyl)-4-triethylsilyloxycyclopent-2-en-1-yl]oxysilane

triethyl-[(1R,4S)-1-(3-iodoprop-2-ynyl)-4-triethylsilyloxycyclopent-2-en-1-yl]oxysilane (PubChem CID 11214048) has the molecular formula C20H37IO2Si2 and a molecular weight of 492.59 g/mol. Its IUPAC name is triethyl-[(1R,4S)-1-(3-iodoprop-2-ynyl)-4-triethylsilyloxycyclopent-2-en-1-yl]oxysilane.

Molecular Properties

Compound Nametriethyl-[(1R,4S)-1-(3-iodoprop-2-ynyl)-4-triethylsilyloxycyclopent-2-en-1-yl]oxysilane
PubChem CID11214048
Molecular FormulaC20H37IO2Si2
Molecular Weight492.59 g/mol
Exact Mass492.14
IUPAC Nametriethyl-[(1R,4S)-1-(3-iodoprop-2-ynyl)-4-triethylsilyloxycyclopent-2-en-1-yl]oxysilane
SMILESCC[Si](CC)(CC)O[C@@H]1C=C[C@](CC#CI)(O[Si](CC)(CC)CC)C1
InChIInChI=1S/C20H37IO2Si2/c1-7-24(8-2,9-3)22-19-14-16-20(18-19,15-13-17-21)23-25(10-4,11-5)12-6/h14,16,19H,7-12,15,18H2,1-6H3/t19-,20+/m1/s1
InChIKeyAGSIUTCIQFDAIV-UXHICEINSA-N
XLogP6.88
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.59
LogP ≤ 56.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze triethyl-[(1R,4S)-1-(3-iodoprop-2-ynyl)-4-triethylsilyloxycyclopent-2-en-1-yl]oxysilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of triethyl-[(1R,4S)-1-(3-iodoprop-2-ynyl)-4-triethylsilyloxycyclopent-2-en-1-yl]oxysilane?
The IUPAC name of triethyl-[(1R,4S)-1-(3-iodoprop-2-ynyl)-4-triethylsilyloxycyclopent-2-en-1-yl]oxysilane (CID 11214048) is triethyl-[(1R,4S)-1-(3-iodoprop-2-ynyl)-4-triethylsilyloxycyclopent-2-en-1-yl]oxysilane.
What is the SMILES notation for triethyl-[(1R,4S)-1-(3-iodoprop-2-ynyl)-4-triethylsilyloxycyclopent-2-en-1-yl]oxysilane?
The canonical SMILES for triethyl-[(1R,4S)-1-(3-iodoprop-2-ynyl)-4-triethylsilyloxycyclopent-2-en-1-yl]oxysilane is CC[Si](CC)(CC)O[C@@H]1C=C[C@](CC#CI)(O[Si](CC)(CC)CC)C1.
What is the InChIKey of triethyl-[(1R,4S)-1-(3-iodoprop-2-ynyl)-4-triethylsilyloxycyclopent-2-en-1-yl]oxysilane?
The InChIKey is AGSIUTCIQFDAIV-UXHICEINSA-N. The full InChI is InChI=1S/C20H37IO2Si2/c1-7-24(8-2,9-3)22-19-14-16-20(18-19,15-13-17-21)23-25(10-4,11-5)12-6/h14,16,19H,7-12,15,18H2,1-6H3/t19-,20+/m1/s1.
What are the key properties of triethyl-[(1R,4S)-1-(3-iodoprop-2-ynyl)-4-triethylsilyloxycyclopent-2-en-1-yl]oxysilane?
triethyl-[(1R,4S)-1-(3-iodoprop-2-ynyl)-4-triethylsilyloxycyclopent-2-en-1-yl]oxysilane has a molecular weight of 492.59 g/mol, XLogP of 6.88, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[(1R,4S)-1-(3-iodoprop-2-ynyl)-4-triethylsilyloxycyclopent-2-en-1-yl]oxysilane is sourced from PubChem (CID 11214048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).