tert-butyl-[(Z)-2-iodo-4-(oxan-2-yloxy)but-2-enoxy]-dimethylsilane

C15H29IO3Si — CID 25194389

IUPACtert-butyl-[(Z)-2-iodo-4-(oxan-2-yloxy)but-2-enoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC/C(I)=C/COC1CCCCO1
InChIInChI=1S/C15H29IO3Si/c1-15(2,3)20(4,5)19-12-13(16)9-11-18-14-8-6-7-10-17-14/h9,14H,6-8,10-12H2,1-5H3/b13-9-
InChIKeyIMWCUTAKDHQOIN-LCYFTJDESA-N
MW412.38 g/mol
LogP4.87
Rot. Bonds6

About tert-butyl-[(Z)-2-iodo-4-(oxan-2-yloxy)but-2-enoxy]-dimethylsilane

tert-butyl-[(Z)-2-iodo-4-(oxan-2-yloxy)but-2-enoxy]-dimethylsilane (PubChem CID 25194389) has the molecular formula C15H29IO3Si and a molecular weight of 412.38 g/mol. Its IUPAC name is tert-butyl-[(Z)-2-iodo-4-(oxan-2-yloxy)but-2-enoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(Z)-2-iodo-4-(oxan-2-yloxy)but-2-enoxy]-dimethylsilane
PubChem CID25194389
Molecular FormulaC15H29IO3Si
Molecular Weight412.38 g/mol
Exact Mass412.09
IUPAC Nametert-butyl-[(Z)-2-iodo-4-(oxan-2-yloxy)but-2-enoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC/C(I)=C/COC1CCCCO1
InChIInChI=1S/C15H29IO3Si/c1-15(2,3)20(4,5)19-12-13(16)9-11-18-14-8-6-7-10-17-14/h9,14H,6-8,10-12H2,1-5H3/b13-9-
InChIKeyIMWCUTAKDHQOIN-LCYFTJDESA-N
XLogP4.87
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.38
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', '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
Tert-butyl-[5-iodo-6-(3-methylbut-2-enoxy)oxan-2-yl]oxy-dimethylsilane
CID 162406290
trimethyl-[(Z)-4-(oxan-2-yloxy)but-2-en-2-yl]oxysilane
CID 14906618
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

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(Z)-2-iodo-4-(oxan-2-yloxy)but-2-enoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(Z)-2-iodo-4-(oxan-2-yloxy)but-2-enoxy]-dimethylsilane (CID 25194389) is tert-butyl-[(Z)-2-iodo-4-(oxan-2-yloxy)but-2-enoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(Z)-2-iodo-4-(oxan-2-yloxy)but-2-enoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(Z)-2-iodo-4-(oxan-2-yloxy)but-2-enoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OC/C(I)=C/COC1CCCCO1.
What is the InChIKey of tert-butyl-[(Z)-2-iodo-4-(oxan-2-yloxy)but-2-enoxy]-dimethylsilane?
The InChIKey is IMWCUTAKDHQOIN-LCYFTJDESA-N. The full InChI is InChI=1S/C15H29IO3Si/c1-15(2,3)20(4,5)19-12-13(16)9-11-18-14-8-6-7-10-17-14/h9,14H,6-8,10-12H2,1-5H3/b13-9-.
What are the key properties of tert-butyl-[(Z)-2-iodo-4-(oxan-2-yloxy)but-2-enoxy]-dimethylsilane?
tert-butyl-[(Z)-2-iodo-4-(oxan-2-yloxy)but-2-enoxy]-dimethylsilane has a molecular weight of 412.38 g/mol, XLogP of 4.87, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(Z)-2-iodo-4-(oxan-2-yloxy)but-2-enoxy]-dimethylsilane is sourced from PubChem (CID 25194389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).