tert-butyl-[(Z)-5-iodo-3-(methoxymethoxy)pent-4-enoxy]-dimethylsilane

C13H27IO3Si — CID 10407781

IUPACtert-butyl-[(Z)-5-iodo-3-(methoxymethoxy)pent-4-enoxy]-dimethylsilane
SMILESCOCOC(/C=C\I)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H27IO3Si/c1-13(2,3)18(5,6)17-10-8-12(7-9-14)16-11-15-4/h7,9,12H,8,10-11H2,1-6H3/b9-7-
InChIKeySXIKPCILWBXOOH-CLFYSBASSA-N
MW386.35 g/mol
LogP4.34
Rot. Bonds8

About tert-butyl-[(Z)-5-iodo-3-(methoxymethoxy)pent-4-enoxy]-dimethylsilane

tert-butyl-[(Z)-5-iodo-3-(methoxymethoxy)pent-4-enoxy]-dimethylsilane (PubChem CID 10407781) has the molecular formula C13H27IO3Si and a molecular weight of 386.35 g/mol. Its IUPAC name is tert-butyl-[(Z)-5-iodo-3-(methoxymethoxy)pent-4-enoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(Z)-5-iodo-3-(methoxymethoxy)pent-4-enoxy]-dimethylsilane
PubChem CID10407781
Molecular FormulaC13H27IO3Si
Molecular Weight386.35 g/mol
Exact Mass386.08
IUPAC Nametert-butyl-[(Z)-5-iodo-3-(methoxymethoxy)pent-4-enoxy]-dimethylsilane
SMILESCOCOC(/C=C\I)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H27IO3Si/c1-13(2,3)18(5,6)17-10-8-12(7-9-14)16-11-15-4/h7,9,12H,8,10-11H2,1-6H3/b9-7-
InChIKeySXIKPCILWBXOOH-CLFYSBASSA-N
XLogP4.34
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.35
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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'}

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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
[(Z)-1-iodo-3-(methoxymethoxy)hex-1-enyl]-trimethylsilane
CID 10427455
tert-butyl-[(4S)-4-(methoxymethoxy)hex-5-enoxy]-dimethylsilane
CID 89996374
triethyl-[(2S,3S,4R)-1-iodo-2,4-bis(methoxymethoxy)hex-5-en-3-yl]oxysilane
CID 162517829
tert-butyl-[(4S)-4-(1-ethoxy-2-iodoethoxy)cyclopent-2-en-1-yl]oxy-dimethylsilane
CID 174081953
tert-butyl-[(Z)-5-iodo-3-methoxypent-4-enoxy]-dimethylsilane
CID 10338322
tert-butyl-[(Z)-3-(methoxymethoxy)-5-tributylstannylpent-4-enoxy]-dimethylsilane
CID 10347502
3-(Methoxymethoxy)hex-1-enyl-trimethylsilane
CID 10398654
tert-butyl-[(1R)-1-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2-iodoethoxy]-dimethylsilane
CID 10764146
2-[[(E,3S)-1-iodo-2-methylpent-1-en-3-yl]oxymethoxy]ethyl-trimethylsilane
CID 11002772
tert-butyl-[(E,3R)-5-iodo-3-methoxypent-4-enoxy]-dimethylsilane
CID 11046491

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(Z)-5-iodo-3-(methoxymethoxy)pent-4-enoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(Z)-5-iodo-3-(methoxymethoxy)pent-4-enoxy]-dimethylsilane (CID 10407781) is tert-butyl-[(Z)-5-iodo-3-(methoxymethoxy)pent-4-enoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(Z)-5-iodo-3-(methoxymethoxy)pent-4-enoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(Z)-5-iodo-3-(methoxymethoxy)pent-4-enoxy]-dimethylsilane is COCOC(/C=C\I)CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(Z)-5-iodo-3-(methoxymethoxy)pent-4-enoxy]-dimethylsilane?
The InChIKey is SXIKPCILWBXOOH-CLFYSBASSA-N. The full InChI is InChI=1S/C13H27IO3Si/c1-13(2,3)18(5,6)17-10-8-12(7-9-14)16-11-15-4/h7,9,12H,8,10-11H2,1-6H3/b9-7-.
What are the key properties of tert-butyl-[(Z)-5-iodo-3-(methoxymethoxy)pent-4-enoxy]-dimethylsilane?
tert-butyl-[(Z)-5-iodo-3-(methoxymethoxy)pent-4-enoxy]-dimethylsilane has a molecular weight of 386.35 g/mol, XLogP of 4.34, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(Z)-5-iodo-3-(methoxymethoxy)pent-4-enoxy]-dimethylsilane is sourced from PubChem (CID 10407781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).