[(1R,4S)-4-(1-butoxy-2-iodoethoxy)cyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane

C17H33IO3Si — CID 11546670

IUPAC[(1R,4S)-4-(1-butoxy-2-iodoethoxy)cyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane
SMILESCCCCOC(CI)O[C@@H]1C=C[C@H](O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C17H33IO3Si/c1-7-8-11-19-16(13-18)20-14-9-10-15(12-14)21-22(5,6)17(2,3)4/h9-10,14-16H,7-8,11-13H2,1-6H3/t14-,15+,16?/m1/s1
InChIKeyHQBOYTCBBWZLHM-YSPPHNQVSA-N
MW440.44 g/mol
LogP5.30
Rot. Bonds9

About [(1R,4S)-4-(1-butoxy-2-iodoethoxy)cyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane

[(1R,4S)-4-(1-butoxy-2-iodoethoxy)cyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 11546670) has the molecular formula C17H33IO3Si and a molecular weight of 440.44 g/mol. Its IUPAC name is [(1R,4S)-4-(1-butoxy-2-iodoethoxy)cyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(1R,4S)-4-(1-butoxy-2-iodoethoxy)cyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane
PubChem CID11546670
Molecular FormulaC17H33IO3Si
Molecular Weight440.44 g/mol
Exact Mass440.12
IUPAC Name[(1R,4S)-4-(1-butoxy-2-iodoethoxy)cyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane
SMILESCCCCOC(CI)O[C@@H]1C=C[C@H](O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C17H33IO3Si/c1-7-8-11-19-16(13-18)20-14-9-10-15(12-14)21-22(5,6)17(2,3)4/h9-10,14-16H,7-8,11-13H2,1-6H3/t14-,15+,16?/m1/s1
InChIKeyHQBOYTCBBWZLHM-YSPPHNQVSA-N
XLogP5.30
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.44
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

tert-butyl-[(1S,2S)-1-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2-iodopropoxy]-dimethylsilane
CID 10527623
tert-butyl-[(1S,2R)-1-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2-iodopropoxy]-dimethylsilane
CID 10551589
tert-butyl-[(1S,2S)-1-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2-iodo-2-methylbutoxy]-dimethylsilane
CID 10672370
tert-butyl-[(1S,2R)-1-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2-iodo-2-methylbutoxy]-dimethylsilane
CID 10743343
Tert-butyl-[1-(3,7-dimethylocta-1,6-dien-3-yloxy)-2-iodoethoxy]-dimethylsilane
CID 10765450
tert-butyl-[2-iodo-1-[(E)-undec-2-en-4-yl]oxyethoxy]-dimethylsilane
CID 10789888
tert-butyl-[(1R,4S)-4-(1-ethoxy-2-iodoethoxy)cyclopent-2-en-1-yl]oxy-dimethylsilane
CID 13829788
tert-butyl-[1-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2-iodopropoxy]-dimethylsilane
CID 134879160
tert-butyl-[1-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2-iodo-2-methylbutoxy]-dimethylsilane
CID 134879161
tert-butyl-[2-iodo-1-[(E)-undec-2-en-4-yl]oxydecoxy]-dimethylsilane
CID 134879163
tert-butyl-[(2R)-2-[(4S,5R)-5-[(1E,3E)-4-iodobuta-1,3-dienyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(2-methoxyethoxymethoxy)ethoxy]-dimethylsilane
CID 134982499
tert-butyl-[(2R)-2-[(4S,5R)-5-[(1E,3Z)-4-iodobuta-1,3-dienyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(2-methoxyethoxymethoxy)ethoxy]-dimethylsilane
CID 134983129

Frequently Asked Questions

What is the IUPAC name of [(1R,4S)-4-(1-butoxy-2-iodoethoxy)cyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(1R,4S)-4-(1-butoxy-2-iodoethoxy)cyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane (CID 11546670) is [(1R,4S)-4-(1-butoxy-2-iodoethoxy)cyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(1R,4S)-4-(1-butoxy-2-iodoethoxy)cyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(1R,4S)-4-(1-butoxy-2-iodoethoxy)cyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane is CCCCOC(CI)O[C@@H]1C=C[C@H](O[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of [(1R,4S)-4-(1-butoxy-2-iodoethoxy)cyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is HQBOYTCBBWZLHM-YSPPHNQVSA-N. The full InChI is InChI=1S/C17H33IO3Si/c1-7-8-11-19-16(13-18)20-14-9-10-15(12-14)21-22(5,6)17(2,3)4/h9-10,14-16H,7-8,11-13H2,1-6H3/t14-,15+,16?/m1/s1.
What are the key properties of [(1R,4S)-4-(1-butoxy-2-iodoethoxy)cyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane?
[(1R,4S)-4-(1-butoxy-2-iodoethoxy)cyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 440.44 g/mol, XLogP of 5.30, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,4S)-4-(1-butoxy-2-iodoethoxy)cyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 11546670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).