tert-butyl-[5-iodo-6-(3-methylbut-2-enoxy)oxan-2-yl]oxy-dimethylsilane

C16H31IO3Si — CID 162406290

IUPACtert-butyl-[5-iodo-6-(3-methylbut-2-enoxy)oxan-2-yl]oxy-dimethylsilane
SMILESCC(C)=CCOC1OC(O[Si](C)(C)C(C)(C)C)CCC1I
InChIInChI=1S/C16H31IO3Si/c1-12(2)10-11-18-15-13(17)8-9-14(19-15)20-21(6,7)16(3,4)5/h10,13-15H,8-9,11H2,1-7H3
InChIKeyPIWPFXPUZXXUGJ-UHFFFAOYSA-N
MW426.41 g/mol
LogP5.26
Rot. Bonds5

About tert-butyl-[5-iodo-6-(3-methylbut-2-enoxy)oxan-2-yl]oxy-dimethylsilane

tert-butyl-[5-iodo-6-(3-methylbut-2-enoxy)oxan-2-yl]oxy-dimethylsilane (PubChem CID 162406290) has the molecular formula C16H31IO3Si and a molecular weight of 426.41 g/mol. Its IUPAC name is tert-butyl-[5-iodo-6-(3-methylbut-2-enoxy)oxan-2-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[5-iodo-6-(3-methylbut-2-enoxy)oxan-2-yl]oxy-dimethylsilane
PubChem CID162406290
Molecular FormulaC16H31IO3Si
Molecular Weight426.41 g/mol
Exact Mass426.11
IUPAC Nametert-butyl-[5-iodo-6-(3-methylbut-2-enoxy)oxan-2-yl]oxy-dimethylsilane
SMILESCC(C)=CCOC1OC(O[Si](C)(C)C(C)(C)C)CCC1I
InChIInChI=1S/C16H31IO3Si/c1-12(2)10-11-18-15-13(17)8-9-14(19-15)20-21(6,7)16(3,4)5/h10,13-15H,8-9,11H2,1-7H3
InChIKeyPIWPFXPUZXXUGJ-UHFFFAOYSA-N
XLogP5.26
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.41
LogP ≤ 55.26
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': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-Iodo-2-(3-methylbut-2-enoxy)oxane
CID 10891766
(2S,3R)-3-iodo-2-(3-methylbut-2-enoxy)oxane
CID 11609054
hydroxy-dimethyl-[(Z)-4-(oxan-2-yloxy)but-2-en-2-yl]silane
CID 102509921
hydroxy-dimethyl-[(E)-4-(oxan-2-yloxy)but-2-en-2-yl]silane
CID 102509935
2,2-dimethyl-3-[3-(oxan-2-yloxymethyl)but-3-en-1-ynyl]-5H-oxasilole
CID 134976827
(3R)-3-iodo-2-(3-methylbut-2-enoxy)oxane
CID 135073352
2-[(Z)-4-iodo-2-methylbut-2-enoxy]oxane
CID 20801614
Tert-butyl-dimethyl-[2-(oxan-2-yloxymethyl)prop-2-enoxy]silane
CID 54390481
2-(4-Iodo-2-methylbut-2-enoxy)oxane
CID 73711137
tert-butyl-dimethyl-[(E)-3-methyl-4-(oxan-2-yloxy)but-2-enoxy]silane
CID 10661983
tert-butyl-dimethyl-[(4E,8E,12E)-4,8,12-trimethyl-14-(oxan-2-yloxy)tetradeca-4,8,12-trienoxy]silane
CID 10928713
2-[(E)-4-iodo-3-methylbut-2-enoxy]oxane
CID 11066366

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[5-iodo-6-(3-methylbut-2-enoxy)oxan-2-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[5-iodo-6-(3-methylbut-2-enoxy)oxan-2-yl]oxy-dimethylsilane (CID 162406290) is tert-butyl-[5-iodo-6-(3-methylbut-2-enoxy)oxan-2-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[5-iodo-6-(3-methylbut-2-enoxy)oxan-2-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[5-iodo-6-(3-methylbut-2-enoxy)oxan-2-yl]oxy-dimethylsilane is CC(C)=CCOC1OC(O[Si](C)(C)C(C)(C)C)CCC1I.
What is the InChIKey of tert-butyl-[5-iodo-6-(3-methylbut-2-enoxy)oxan-2-yl]oxy-dimethylsilane?
The InChIKey is PIWPFXPUZXXUGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31IO3Si/c1-12(2)10-11-18-15-13(17)8-9-14(19-15)20-21(6,7)16(3,4)5/h10,13-15H,8-9,11H2,1-7H3.
What are the key properties of tert-butyl-[5-iodo-6-(3-methylbut-2-enoxy)oxan-2-yl]oxy-dimethylsilane?
tert-butyl-[5-iodo-6-(3-methylbut-2-enoxy)oxan-2-yl]oxy-dimethylsilane has a molecular weight of 426.41 g/mol, XLogP of 5.26, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[5-iodo-6-(3-methylbut-2-enoxy)oxan-2-yl]oxy-dimethylsilane is sourced from PubChem (CID 162406290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).