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

C15H29IO3Si — CID 174081953

IUPACtert-butyl-[(4S)-4-(1-ethoxy-2-iodoethoxy)cyclopent-2-en-1-yl]oxy-dimethylsilane
SMILESCCOC(CI)O[C@@H]1C=CC(O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C15H29IO3Si/c1-7-17-14(11-16)18-12-8-9-13(10-12)19-20(5,6)15(2,3)4/h8-9,12-14H,7,10-11H2,1-6H3/t12-,13?,14?/m1/s1
InChIKeyTXNHCDNNQONOOV-IYXRBSQSSA-N
MW412.38 g/mol
LogP4.52
Rot. Bonds7

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

tert-butyl-[(4S)-4-(1-ethoxy-2-iodoethoxy)cyclopent-2-en-1-yl]oxy-dimethylsilane (PubChem CID 174081953) has the molecular formula C15H29IO3Si and a molecular weight of 412.38 g/mol. Its IUPAC name is tert-butyl-[(4S)-4-(1-ethoxy-2-iodoethoxy)cyclopent-2-en-1-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(4S)-4-(1-ethoxy-2-iodoethoxy)cyclopent-2-en-1-yl]oxy-dimethylsilane
PubChem CID174081953
Molecular FormulaC15H29IO3Si
Molecular Weight412.38 g/mol
Exact Mass412.09
IUPAC Nametert-butyl-[(4S)-4-(1-ethoxy-2-iodoethoxy)cyclopent-2-en-1-yl]oxy-dimethylsilane
SMILESCCOC(CI)O[C@@H]1C=CC(O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C15H29IO3Si/c1-7-17-14(11-16)18-12-8-9-13(10-12)19-20(5,6)15(2,3)4/h8-9,12-14H,7,10-11H2,1-6H3/t12-,13?,14?/m1/s1
InChIKeyTXNHCDNNQONOOV-IYXRBSQSSA-N
XLogP4.52
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.38
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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Related Compounds

tert-butyl-[(1R,4S)-4-(1-ethoxy-2-iodoethoxy)cyclopent-2-en-1-yl]oxy-dimethylsilane
CID 13829788
tert-butyl-[(1S,4S)-4-(1-ethoxy-2-iodoethoxy)cyclopent-2-en-1-yl]oxy-dimethylsilane
CID 164674789
[(1S,4R)-4-(2-bromo-1-ethoxyethoxy)cyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane
CID 11849278
Tert-butyl-dimethyl-[4-(oxan-2-yloxy)cyclopent-2-en-1-yl]oxysilane
CID 12692810
tert-butyl-[(1S,4R)-4-(1-ethoxy-2-iodopropoxy)cyclopent-2-en-1-yl]oxy-dimethylsilane
CID 90174177
tert-butyl-[(Z)-5-iodo-3-(methoxymethoxy)pent-4-enoxy]-dimethylsilane
CID 10407781
tert-butyl-[(E,3S)-1-[[(1R,4S)-4-(1-ethoxy-2-iodoethoxy)cyclopent-2-en-1-yl]oxy-di(propan-2-yl)silyl]oct-1-en-3-yl]oxy-dimethylsilane
CID 11158058
[(1R,4S)-4-(1-butoxy-2-iodoethoxy)cyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane
CID 11546670
tert-butyl-[1-(6-methoxy-3,6-dihydro-2H-pyran-2-yl)ethoxy]-dimethylsilane
CID 13529090
[(1R,4S)-4-(1-ethoxy-2-iodoethoxy)cyclopent-2-en-1-yl]oxy-[(E)-oct-1-enyl]-di(propan-2-yl)silane
CID 101207677
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
[(E,3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]pent-1-enyl]-[(1R,4S)-4-(1-ethoxy-2-iodoethoxy)cyclopent-2-en-1-yl]oxy-di(propan-2-yl)silane
CID 101207679

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(4S)-4-(1-ethoxy-2-iodoethoxy)cyclopent-2-en-1-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(4S)-4-(1-ethoxy-2-iodoethoxy)cyclopent-2-en-1-yl]oxy-dimethylsilane (CID 174081953) is tert-butyl-[(4S)-4-(1-ethoxy-2-iodoethoxy)cyclopent-2-en-1-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(4S)-4-(1-ethoxy-2-iodoethoxy)cyclopent-2-en-1-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(4S)-4-(1-ethoxy-2-iodoethoxy)cyclopent-2-en-1-yl]oxy-dimethylsilane is CCOC(CI)O[C@@H]1C=CC(O[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of tert-butyl-[(4S)-4-(1-ethoxy-2-iodoethoxy)cyclopent-2-en-1-yl]oxy-dimethylsilane?
The InChIKey is TXNHCDNNQONOOV-IYXRBSQSSA-N. The full InChI is InChI=1S/C15H29IO3Si/c1-7-17-14(11-16)18-12-8-9-13(10-12)19-20(5,6)15(2,3)4/h8-9,12-14H,7,10-11H2,1-6H3/t12-,13?,14?/m1/s1.
What are the key properties of tert-butyl-[(4S)-4-(1-ethoxy-2-iodoethoxy)cyclopent-2-en-1-yl]oxy-dimethylsilane?
tert-butyl-[(4S)-4-(1-ethoxy-2-iodoethoxy)cyclopent-2-en-1-yl]oxy-dimethylsilane has a molecular weight of 412.38 g/mol, XLogP of 4.52, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(4S)-4-(1-ethoxy-2-iodoethoxy)cyclopent-2-en-1-yl]oxy-dimethylsilane is sourced from PubChem (CID 174081953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).