ethyl 2-[(1R,5S)-5-tributylsilyloxy-3-triethylsilyloxycyclopent-2-en-1-yl]acetate

C27H54O4Si2 — CID 14376783

IUPACethyl 2-[(1R,5S)-5-tributylsilyloxy-3-triethylsilyloxycyclopent-2-en-1-yl]acetate
SMILESCCCC[Si](CCCC)(CCCC)O[C@H]1CC(O[Si](CC)(CC)CC)=C[C@H]1CC(=O)OCC
InChIInChI=1S/C27H54O4Si2/c1-8-15-18-33(19-16-9-2,20-17-10-3)31-26-23-25(30-32(12-5,13-6)14-7)21-24(26)22-27(28)29-11-4/h21,24,26H,8-20,22-23H2,1-7H3/t24-,26-/m0/s1
InChIKeyZBZUUQZNDKORMN-AHWVRZQESA-N
MW498.90 g/mol
LogP8.60
Rot. Bonds19

About ethyl 2-[(1R,5S)-5-tributylsilyloxy-3-triethylsilyloxycyclopent-2-en-1-yl]acetate

ethyl 2-[(1R,5S)-5-tributylsilyloxy-3-triethylsilyloxycyclopent-2-en-1-yl]acetate (PubChem CID 14376783) has the molecular formula C27H54O4Si2 and a molecular weight of 498.90 g/mol. Its IUPAC name is ethyl 2-[(1R,5S)-5-tributylsilyloxy-3-triethylsilyloxycyclopent-2-en-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[(1R,5S)-5-tributylsilyloxy-3-triethylsilyloxycyclopent-2-en-1-yl]acetate
PubChem CID14376783
Molecular FormulaC27H54O4Si2
Molecular Weight498.90 g/mol
Exact Mass498.36
IUPAC Nameethyl 2-[(1R,5S)-5-tributylsilyloxy-3-triethylsilyloxycyclopent-2-en-1-yl]acetate
SMILESCCCC[Si](CCCC)(CCCC)O[C@H]1CC(O[Si](CC)(CC)CC)=C[C@H]1CC(=O)OCC
InChIInChI=1S/C27H54O4Si2/c1-8-15-18-33(19-16-9-2,20-17-10-3)31-26-23-25(30-32(12-5,13-6)14-7)21-24(26)22-27(28)29-11-4/h21,24,26H,8-20,22-23H2,1-7H3/t24-,26-/m0/s1
InChIKeyZBZUUQZNDKORMN-AHWVRZQESA-N
XLogP8.60
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.90
LogP ≤ 58.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(1R,5S)-5-tributylsilyloxy-3-triethylsilyloxycyclopent-2-en-1-yl]acetate?
The IUPAC name of ethyl 2-[(1R,5S)-5-tributylsilyloxy-3-triethylsilyloxycyclopent-2-en-1-yl]acetate (CID 14376783) is ethyl 2-[(1R,5S)-5-tributylsilyloxy-3-triethylsilyloxycyclopent-2-en-1-yl]acetate.
What is the SMILES notation for ethyl 2-[(1R,5S)-5-tributylsilyloxy-3-triethylsilyloxycyclopent-2-en-1-yl]acetate?
The canonical SMILES for ethyl 2-[(1R,5S)-5-tributylsilyloxy-3-triethylsilyloxycyclopent-2-en-1-yl]acetate is CCCC[Si](CCCC)(CCCC)O[C@H]1CC(O[Si](CC)(CC)CC)=C[C@H]1CC(=O)OCC.
What is the InChIKey of ethyl 2-[(1R,5S)-5-tributylsilyloxy-3-triethylsilyloxycyclopent-2-en-1-yl]acetate?
The InChIKey is ZBZUUQZNDKORMN-AHWVRZQESA-N. The full InChI is InChI=1S/C27H54O4Si2/c1-8-15-18-33(19-16-9-2,20-17-10-3)31-26-23-25(30-32(12-5,13-6)14-7)21-24(26)22-27(28)29-11-4/h21,24,26H,8-20,22-23H2,1-7H3/t24-,26-/m0/s1.
What are the key properties of ethyl 2-[(1R,5S)-5-tributylsilyloxy-3-triethylsilyloxycyclopent-2-en-1-yl]acetate?
ethyl 2-[(1R,5S)-5-tributylsilyloxy-3-triethylsilyloxycyclopent-2-en-1-yl]acetate has a molecular weight of 498.90 g/mol, XLogP of 8.60, 19 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(1R,5S)-5-tributylsilyloxy-3-triethylsilyloxycyclopent-2-en-1-yl]acetate is sourced from PubChem (CID 14376783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).