tert-butyl-[(1S,2R,5R)-5-(1-ethoxyethoxy)-3-iodo-2-trimethylsilyloxy-2-(3-trimethylsilylprop-2-ynyl)cyclopent-3-en-1-yl]oxy-dimethylsilane

C24H47IO4Si3 — CID 11050334

IUPACtert-butyl-[(1S,2R,5R)-5-(1-ethoxyethoxy)-3-iodo-2-trimethylsilyloxy-2-(3-trimethylsilylprop-2-ynyl)cyclopent-3-en-1-yl]oxy-dimethylsilane
SMILESCCOC(C)O[C@@H]1C=C(I)[C@](CC#C[Si](C)(C)C)(O[Si](C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H47IO4Si3/c1-14-26-19(2)27-20-18-21(25)24(29-31(9,10)11,16-15-17-30(6,7)8)22(20)28-32(12,13)23(3,4)5/h18-20,22H,14,16H2,1-13H3/t19?,20-,22+,24+/m1/s1
InChIKeyIFKFLRQDZDJSSG-WNCYPCHTSA-N
MW610.80 g/mol
LogP7.34
Rot. Bonds9

About tert-butyl-[(1S,2R,5R)-5-(1-ethoxyethoxy)-3-iodo-2-trimethylsilyloxy-2-(3-trimethylsilylprop-2-ynyl)cyclopent-3-en-1-yl]oxy-dimethylsilane

tert-butyl-[(1S,2R,5R)-5-(1-ethoxyethoxy)-3-iodo-2-trimethylsilyloxy-2-(3-trimethylsilylprop-2-ynyl)cyclopent-3-en-1-yl]oxy-dimethylsilane (PubChem CID 11050334) has the molecular formula C24H47IO4Si3 and a molecular weight of 610.80 g/mol. Its IUPAC name is tert-butyl-[(1S,2R,5R)-5-(1-ethoxyethoxy)-3-iodo-2-trimethylsilyloxy-2-(3-trimethylsilylprop-2-ynyl)cyclopent-3-en-1-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1S,2R,5R)-5-(1-ethoxyethoxy)-3-iodo-2-trimethylsilyloxy-2-(3-trimethylsilylprop-2-ynyl)cyclopent-3-en-1-yl]oxy-dimethylsilane
PubChem CID11050334
Molecular FormulaC24H47IO4Si3
Molecular Weight610.80 g/mol
Exact Mass610.18
IUPAC Nametert-butyl-[(1S,2R,5R)-5-(1-ethoxyethoxy)-3-iodo-2-trimethylsilyloxy-2-(3-trimethylsilylprop-2-ynyl)cyclopent-3-en-1-yl]oxy-dimethylsilane
SMILESCCOC(C)O[C@@H]1C=C(I)[C@](CC#C[Si](C)(C)C)(O[Si](C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H47IO4Si3/c1-14-26-19(2)27-20-18-21(25)24(29-31(9,10)11,16-15-17-30(6,7)8)22(20)28-32(12,13)23(3,4)5/h18-20,22H,14,16H2,1-13H3/t19?,20-,22+,24+/m1/s1
InChIKeyIFKFLRQDZDJSSG-WNCYPCHTSA-N
XLogP7.34
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.80
LogP ≤ 57.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl-[[(5R,6R,7S)-6-[tert-butyl(dimethyl)silyl]oxy-9-iodo-2,2-dimethyl-1,3-dioxaspiro[4.4]non-8-en-7-yl]oxy]-dimethylsilane
CID 134972898
tert-butyl-[(1S,2S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-ethynyl-2-(methoxymethoxy)-2-prop-2-ynylcyclopent-3-en-1-yl]oxy-dimethylsilane
CID 11080876
(1R,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-(1-ethoxyethoxy)-2-iodo-1-(3-trimethylsilylprop-2-ynyl)cyclopent-2-en-1-ol
CID 11124377
tert-butyl-[(1S,2S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-(2-iodoethynyl)-2-(3-iodoprop-2-ynyl)-2-(methoxymethoxy)cyclopent-3-en-1-yl]oxy-dimethylsilane
CID 11146899
tert-butyl-[(E)-4-[[(1R,4S)-4-(1-ethoxy-2-iodoethoxy)cyclopent-2-en-1-yl]oxy-di(propan-2-yl)silyl]-1-(2-ethyloxiran-2-yl)but-3-en-2-yl]oxy-dimethylsilane
CID 101207681

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1S,2R,5R)-5-(1-ethoxyethoxy)-3-iodo-2-trimethylsilyloxy-2-(3-trimethylsilylprop-2-ynyl)cyclopent-3-en-1-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(1S,2R,5R)-5-(1-ethoxyethoxy)-3-iodo-2-trimethylsilyloxy-2-(3-trimethylsilylprop-2-ynyl)cyclopent-3-en-1-yl]oxy-dimethylsilane (CID 11050334) is tert-butyl-[(1S,2R,5R)-5-(1-ethoxyethoxy)-3-iodo-2-trimethylsilyloxy-2-(3-trimethylsilylprop-2-ynyl)cyclopent-3-en-1-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1S,2R,5R)-5-(1-ethoxyethoxy)-3-iodo-2-trimethylsilyloxy-2-(3-trimethylsilylprop-2-ynyl)cyclopent-3-en-1-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(1S,2R,5R)-5-(1-ethoxyethoxy)-3-iodo-2-trimethylsilyloxy-2-(3-trimethylsilylprop-2-ynyl)cyclopent-3-en-1-yl]oxy-dimethylsilane is CCOC(C)O[C@@H]1C=C(I)[C@](CC#C[Si](C)(C)C)(O[Si](C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(1S,2R,5R)-5-(1-ethoxyethoxy)-3-iodo-2-trimethylsilyloxy-2-(3-trimethylsilylprop-2-ynyl)cyclopent-3-en-1-yl]oxy-dimethylsilane?
The InChIKey is IFKFLRQDZDJSSG-WNCYPCHTSA-N. The full InChI is InChI=1S/C24H47IO4Si3/c1-14-26-19(2)27-20-18-21(25)24(29-31(9,10)11,16-15-17-30(6,7)8)22(20)28-32(12,13)23(3,4)5/h18-20,22H,14,16H2,1-13H3/t19?,20-,22+,24+/m1/s1.
What are the key properties of tert-butyl-[(1S,2R,5R)-5-(1-ethoxyethoxy)-3-iodo-2-trimethylsilyloxy-2-(3-trimethylsilylprop-2-ynyl)cyclopent-3-en-1-yl]oxy-dimethylsilane?
tert-butyl-[(1S,2R,5R)-5-(1-ethoxyethoxy)-3-iodo-2-trimethylsilyloxy-2-(3-trimethylsilylprop-2-ynyl)cyclopent-3-en-1-yl]oxy-dimethylsilane has a molecular weight of 610.80 g/mol, XLogP of 7.34, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1S,2R,5R)-5-(1-ethoxyethoxy)-3-iodo-2-trimethylsilyloxy-2-(3-trimethylsilylprop-2-ynyl)cyclopent-3-en-1-yl]oxy-dimethylsilane is sourced from PubChem (CID 11050334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).