tert-butyl-[(E,2S,3R)-5-iodo-3-(2-methoxyethoxymethoxy)pent-4-en-2-yl]oxy-dimethylsilane

C15H31IO4Si — CID 11154630

IUPACtert-butyl-[(E,2S,3R)-5-iodo-3-(2-methoxyethoxymethoxy)pent-4-en-2-yl]oxy-dimethylsilane
SMILESCOCCOCO[C@H](/C=C/I)[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H31IO4Si/c1-13(20-21(6,7)15(2,3)4)14(8-9-16)19-12-18-11-10-17-5/h8-9,13-14H,10-12H2,1-7H3/b9-8+/t13-,14+/m0/s1
InChIKeyDLUVZMXFLWMFQG-NYCDYWJRSA-N
MW430.40 g/mol
LogP4.35
Rot. Bonds10

About tert-butyl-[(E,2S,3R)-5-iodo-3-(2-methoxyethoxymethoxy)pent-4-en-2-yl]oxy-dimethylsilane

tert-butyl-[(E,2S,3R)-5-iodo-3-(2-methoxyethoxymethoxy)pent-4-en-2-yl]oxy-dimethylsilane (PubChem CID 11154630) has the molecular formula C15H31IO4Si and a molecular weight of 430.40 g/mol. Its IUPAC name is tert-butyl-[(E,2S,3R)-5-iodo-3-(2-methoxyethoxymethoxy)pent-4-en-2-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(E,2S,3R)-5-iodo-3-(2-methoxyethoxymethoxy)pent-4-en-2-yl]oxy-dimethylsilane
PubChem CID11154630
Molecular FormulaC15H31IO4Si
Molecular Weight430.40 g/mol
Exact Mass430.10
IUPAC Nametert-butyl-[(E,2S,3R)-5-iodo-3-(2-methoxyethoxymethoxy)pent-4-en-2-yl]oxy-dimethylsilane
SMILESCOCCOCO[C@H](/C=C/I)[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H31IO4Si/c1-13(20-21(6,7)15(2,3)4)14(8-9-16)19-12-18-11-10-17-5/h8-9,13-14H,10-12H2,1-7H3/b9-8+/t13-,14+/m0/s1
InChIKeyDLUVZMXFLWMFQG-NYCDYWJRSA-N
XLogP4.35
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.40
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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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Related Compounds

[(2S)-1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-yl] methyl carbonate
CID 101036593
[(2R)-1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-yl] methyl carbonate
CID 102073389
tert-butyl-[(2S,3R)-3-(2-methoxypropan-2-yloxy)pent-4-en-2-yl]oxy-dimethylsilane
CID 178327512
tert-butyl-[(2S,3R)-3-(methoxymethoxy)pent-4-en-2-yl]oxy-dimethylsilane
CID 10978227
tert-butyl-[(2R)-2-(methoxymethoxy)but-3-enoxy]-dimethylsilane
CID 58405981
Tert-butyl-[2-(methoxymethoxy)but-3-enoxy]-dimethylsilane
CID 76778047
triethyl-[(2S,3S,4R)-1-iodo-2,4-bis(methoxymethoxy)hex-5-en-3-yl]oxysilane
CID 162517829
tert-butyl-[(Z)-5-iodo-3-(methoxymethoxy)pent-4-enoxy]-dimethylsilane
CID 10407781
tert-butyl-[(1R)-1-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2-iodoethoxy]-dimethylsilane
CID 10764146
tert-butyl-[(2S,3R)-3-(2-methoxyethoxymethoxy)pent-4-en-2-yl]oxy-dimethylsilane
CID 11231988
tert-butyl-[[(4S,5S)-5-[(E)-2-iodoethenyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane
CID 11383952
1-[Tert-butyl(dimethyl)silyl]oxybut-3-en-2-yl methyl carbonate
CID 11459639

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(E,2S,3R)-5-iodo-3-(2-methoxyethoxymethoxy)pent-4-en-2-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(E,2S,3R)-5-iodo-3-(2-methoxyethoxymethoxy)pent-4-en-2-yl]oxy-dimethylsilane (CID 11154630) is tert-butyl-[(E,2S,3R)-5-iodo-3-(2-methoxyethoxymethoxy)pent-4-en-2-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(E,2S,3R)-5-iodo-3-(2-methoxyethoxymethoxy)pent-4-en-2-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(E,2S,3R)-5-iodo-3-(2-methoxyethoxymethoxy)pent-4-en-2-yl]oxy-dimethylsilane is COCCOCO[C@H](/C=C/I)[C@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(E,2S,3R)-5-iodo-3-(2-methoxyethoxymethoxy)pent-4-en-2-yl]oxy-dimethylsilane?
The InChIKey is DLUVZMXFLWMFQG-NYCDYWJRSA-N. The full InChI is InChI=1S/C15H31IO4Si/c1-13(20-21(6,7)15(2,3)4)14(8-9-16)19-12-18-11-10-17-5/h8-9,13-14H,10-12H2,1-7H3/b9-8+/t13-,14+/m0/s1.
What are the key properties of tert-butyl-[(E,2S,3R)-5-iodo-3-(2-methoxyethoxymethoxy)pent-4-en-2-yl]oxy-dimethylsilane?
tert-butyl-[(E,2S,3R)-5-iodo-3-(2-methoxyethoxymethoxy)pent-4-en-2-yl]oxy-dimethylsilane has a molecular weight of 430.40 g/mol, XLogP of 4.35, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(E,2S,3R)-5-iodo-3-(2-methoxyethoxymethoxy)pent-4-en-2-yl]oxy-dimethylsilane is sourced from PubChem (CID 11154630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).