tert-butyl-[(E)-1-[[(1R,4S)-4-(1-ethoxy-2-iodoethoxy)cyclopent-2-en-1-yl]oxy-di(propan-2-yl)silyl]pent-1-en-3-yl]oxy-dimethylsilane

C26H51IO4Si2 — CID 101207678

IUPACtert-butyl-[(E)-1-[[(1R,4S)-4-(1-ethoxy-2-iodoethoxy)cyclopent-2-en-1-yl]oxy-di(propan-2-yl)silyl]pent-1-en-3-yl]oxy-dimethylsilane
SMILESCCOC(CI)O[C@@H]1C=C[C@H](O[Si](/C=C/C(CC)O[Si](C)(C)C(C)(C)C)(C(C)C)C(C)C)C1
InChIInChI=1S/C26H51IO4Si2/c1-12-22(30-32(10,11)26(7,8)9)16-17-33(20(3)4,21(5)6)31-24-15-14-23(18-24)29-25(19-27)28-13-2/h14-17,20-25H,12-13,18-19H2,1-11H3/b17-16+/t22?,23-,24+,25?/m1/s1
InChIKeyMFKWBRORVGUEMZ-SPSDEIGZSA-N
MW610.77 g/mol
LogP8.18
Rot. Bonds14

About tert-butyl-[(E)-1-[[(1R,4S)-4-(1-ethoxy-2-iodoethoxy)cyclopent-2-en-1-yl]oxy-di(propan-2-yl)silyl]pent-1-en-3-yl]oxy-dimethylsilane

tert-butyl-[(E)-1-[[(1R,4S)-4-(1-ethoxy-2-iodoethoxy)cyclopent-2-en-1-yl]oxy-di(propan-2-yl)silyl]pent-1-en-3-yl]oxy-dimethylsilane (PubChem CID 101207678) has the molecular formula C26H51IO4Si2 and a molecular weight of 610.77 g/mol. Its IUPAC name is tert-butyl-[(E)-1-[[(1R,4S)-4-(1-ethoxy-2-iodoethoxy)cyclopent-2-en-1-yl]oxy-di(propan-2-yl)silyl]pent-1-en-3-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(E)-1-[[(1R,4S)-4-(1-ethoxy-2-iodoethoxy)cyclopent-2-en-1-yl]oxy-di(propan-2-yl)silyl]pent-1-en-3-yl]oxy-dimethylsilane
PubChem CID101207678
Molecular FormulaC26H51IO4Si2
Molecular Weight610.77 g/mol
Exact Mass610.24
IUPAC Nametert-butyl-[(E)-1-[[(1R,4S)-4-(1-ethoxy-2-iodoethoxy)cyclopent-2-en-1-yl]oxy-di(propan-2-yl)silyl]pent-1-en-3-yl]oxy-dimethylsilane
SMILESCCOC(CI)O[C@@H]1C=C[C@H](O[Si](/C=C/C(CC)O[Si](C)(C)C(C)(C)C)(C(C)C)C(C)C)C1
InChIInChI=1S/C26H51IO4Si2/c1-12-22(30-32(10,11)26(7,8)9)16-17-33(20(3)4,21(5)6)31-24-15-14-23(18-24)29-25(19-27)28-13-2/h14-17,20-25H,12-13,18-19H2,1-11H3/b17-16+/t22?,23-,24+,25?/m1/s1
InChIKeyMFKWBRORVGUEMZ-SPSDEIGZSA-N
XLogP8.18
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.77
LogP ≤ 58.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(E)-1-[[(1R,4S)-4-(1-ethoxy-2-iodoethoxy)cyclopent-2-en-1-yl]oxy-di(propan-2-yl)silyl]pent-1-en-3-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(E)-1-[[(1R,4S)-4-(1-ethoxy-2-iodoethoxy)cyclopent-2-en-1-yl]oxy-di(propan-2-yl)silyl]pent-1-en-3-yl]oxy-dimethylsilane (CID 101207678) is tert-butyl-[(E)-1-[[(1R,4S)-4-(1-ethoxy-2-iodoethoxy)cyclopent-2-en-1-yl]oxy-di(propan-2-yl)silyl]pent-1-en-3-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(E)-1-[[(1R,4S)-4-(1-ethoxy-2-iodoethoxy)cyclopent-2-en-1-yl]oxy-di(propan-2-yl)silyl]pent-1-en-3-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(E)-1-[[(1R,4S)-4-(1-ethoxy-2-iodoethoxy)cyclopent-2-en-1-yl]oxy-di(propan-2-yl)silyl]pent-1-en-3-yl]oxy-dimethylsilane is CCOC(CI)O[C@@H]1C=C[C@H](O[Si](/C=C/C(CC)O[Si](C)(C)C(C)(C)C)(C(C)C)C(C)C)C1.
What is the InChIKey of tert-butyl-[(E)-1-[[(1R,4S)-4-(1-ethoxy-2-iodoethoxy)cyclopent-2-en-1-yl]oxy-di(propan-2-yl)silyl]pent-1-en-3-yl]oxy-dimethylsilane?
The InChIKey is MFKWBRORVGUEMZ-SPSDEIGZSA-N. The full InChI is InChI=1S/C26H51IO4Si2/c1-12-22(30-32(10,11)26(7,8)9)16-17-33(20(3)4,21(5)6)31-24-15-14-23(18-24)29-25(19-27)28-13-2/h14-17,20-25H,12-13,18-19H2,1-11H3/b17-16+/t22?,23-,24+,25?/m1/s1.
What are the key properties of tert-butyl-[(E)-1-[[(1R,4S)-4-(1-ethoxy-2-iodoethoxy)cyclopent-2-en-1-yl]oxy-di(propan-2-yl)silyl]pent-1-en-3-yl]oxy-dimethylsilane?
tert-butyl-[(E)-1-[[(1R,4S)-4-(1-ethoxy-2-iodoethoxy)cyclopent-2-en-1-yl]oxy-di(propan-2-yl)silyl]pent-1-en-3-yl]oxy-dimethylsilane has a molecular weight of 610.77 g/mol, XLogP of 8.18, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(E)-1-[[(1R,4S)-4-(1-ethoxy-2-iodoethoxy)cyclopent-2-en-1-yl]oxy-di(propan-2-yl)silyl]pent-1-en-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 101207678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).