ethyl 2-[(5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-triethylsilyloxycyclopent-2-en-1-yl]acetate

C21H42O4Si2 — CID 101131250

IUPACethyl 2-[(5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-triethylsilyloxycyclopent-2-en-1-yl]acetate
SMILESCCOC(=O)CC1C=C(O[Si](CC)(CC)CC)C[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H42O4Si2/c1-10-23-20(22)15-17-14-18(24-27(11-2,12-3)13-4)16-19(17)25-26(8,9)21(5,6)7/h14,17,19H,10-13,15-16H2,1-9H3/t17?,19-/m0/s1
InChIKeyJPUYVCNVMLAKDD-NNBQYGFHSA-N
MW414.74 g/mol
LogP6.26
Rot. Bonds10

About ethyl 2-[(5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-triethylsilyloxycyclopent-2-en-1-yl]acetate

ethyl 2-[(5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-triethylsilyloxycyclopent-2-en-1-yl]acetate (PubChem CID 101131250) has the molecular formula C21H42O4Si2 and a molecular weight of 414.74 g/mol. Its IUPAC name is ethyl 2-[(5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-triethylsilyloxycyclopent-2-en-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[(5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-triethylsilyloxycyclopent-2-en-1-yl]acetate
PubChem CID101131250
Molecular FormulaC21H42O4Si2
Molecular Weight414.74 g/mol
Exact Mass414.26
IUPAC Nameethyl 2-[(5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-triethylsilyloxycyclopent-2-en-1-yl]acetate
SMILESCCOC(=O)CC1C=C(O[Si](CC)(CC)CC)C[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H42O4Si2/c1-10-23-20(22)15-17-14-18(24-27(11-2,12-3)13-4)16-19(17)25-26(8,9)21(5,6)7/h14,17,19H,10-13,15-16H2,1-9H3/t17?,19-/m0/s1
InChIKeyJPUYVCNVMLAKDD-NNBQYGFHSA-N
XLogP6.26
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.74
LogP ≤ 56.26
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-[(5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-triethylsilyloxycyclopent-2-en-1-yl]acetate?
The IUPAC name of ethyl 2-[(5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-triethylsilyloxycyclopent-2-en-1-yl]acetate (CID 101131250) is ethyl 2-[(5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-triethylsilyloxycyclopent-2-en-1-yl]acetate.
What is the SMILES notation for ethyl 2-[(5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-triethylsilyloxycyclopent-2-en-1-yl]acetate?
The canonical SMILES for ethyl 2-[(5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-triethylsilyloxycyclopent-2-en-1-yl]acetate is CCOC(=O)CC1C=C(O[Si](CC)(CC)CC)C[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl 2-[(5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-triethylsilyloxycyclopent-2-en-1-yl]acetate?
The InChIKey is JPUYVCNVMLAKDD-NNBQYGFHSA-N. The full InChI is InChI=1S/C21H42O4Si2/c1-10-23-20(22)15-17-14-18(24-27(11-2,12-3)13-4)16-19(17)25-26(8,9)21(5,6)7/h14,17,19H,10-13,15-16H2,1-9H3/t17?,19-/m0/s1.
What are the key properties of ethyl 2-[(5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-triethylsilyloxycyclopent-2-en-1-yl]acetate?
ethyl 2-[(5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-triethylsilyloxycyclopent-2-en-1-yl]acetate has a molecular weight of 414.74 g/mol, XLogP of 6.26, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-triethylsilyloxycyclopent-2-en-1-yl]acetate is sourced from PubChem (CID 101131250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).