tert-butyl-(6-iodohex-4-en-2-yloxy)-dimethylsilane

C12H25IOSi — CID 54066938

IUPACtert-butyl-(6-iodohex-4-en-2-yloxy)-dimethylsilane
SMILESCC(CC=CCI)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H25IOSi/c1-11(9-7-8-10-13)14-15(5,6)12(2,3)4/h7-8,11H,9-10H2,1-6H3
InChIKeyMDQRFUAYQXMKEK-UHFFFAOYSA-N
MW340.32 g/mol
LogP4.78
Rot. Bonds5

About tert-butyl-(6-iodohex-4-en-2-yloxy)-dimethylsilane

tert-butyl-(6-iodohex-4-en-2-yloxy)-dimethylsilane (PubChem CID 54066938) has the molecular formula C12H25IOSi and a molecular weight of 340.32 g/mol. Its IUPAC name is tert-butyl-(6-iodohex-4-en-2-yloxy)-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-(6-iodohex-4-en-2-yloxy)-dimethylsilane
PubChem CID54066938
Molecular FormulaC12H25IOSi
Molecular Weight340.32 g/mol
Exact Mass340.07
IUPAC Nametert-butyl-(6-iodohex-4-en-2-yloxy)-dimethylsilane
SMILESCC(CC=CCI)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H25IOSi/c1-11(9-7-8-10-13)14-15(5,6)12(2,3)4/h7-8,11H,9-10H2,1-6H3
InChIKeyMDQRFUAYQXMKEK-UHFFFAOYSA-N
XLogP4.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.32
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

(E)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enal
CID 5371565
(5R)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoic acid
CID 71354514
(E,5S)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoic acid
CID 11149233
tert-butyl-[(2S)-4-iodobutan-2-yl]oxy-dimethylsilane
CID 10946949
tert-butyl-(4-iodobutan-2-yloxy)-dimethylsilane
CID 11130810
butan-2-yloxy-tert-butyl-dimethylsilane;methane
CID 158755840
tert-butyl-[(E,3S)-7-iodohept-4-en-3-yl]oxy-dimethylsilane
CID 87999521
tert-butyl-[[(3S)-3-[tert-butyl(dimethyl)silyl]oxybutylidene]amino]-oxidosulfanium
CID 175131930
(R)-N-[3-[tert-butyl(dimethyl)silyl]oxybutylidene]-2-methylpropane-2-sulfinamide
CID 150420736
3-[tert-butyl(dimethyl)silyl]oxybutan-1-ol
CID 554645
(3R)-3-[tert-butyl(dimethyl)silyl]oxybutan-1-amine
CID 88577810
(2R)-2-[tert-butyl(dimethyl)silyl]oxy-N,N-dimethylpropan-1-amine
CID 156904543

Frequently Asked Questions

What is the IUPAC name of tert-butyl-(6-iodohex-4-en-2-yloxy)-dimethylsilane?
The IUPAC name of tert-butyl-(6-iodohex-4-en-2-yloxy)-dimethylsilane (CID 54066938) is tert-butyl-(6-iodohex-4-en-2-yloxy)-dimethylsilane.
What is the SMILES notation for tert-butyl-(6-iodohex-4-en-2-yloxy)-dimethylsilane?
The canonical SMILES for tert-butyl-(6-iodohex-4-en-2-yloxy)-dimethylsilane is CC(CC=CCI)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-(6-iodohex-4-en-2-yloxy)-dimethylsilane?
The InChIKey is MDQRFUAYQXMKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25IOSi/c1-11(9-7-8-10-13)14-15(5,6)12(2,3)4/h7-8,11H,9-10H2,1-6H3.
What are the key properties of tert-butyl-(6-iodohex-4-en-2-yloxy)-dimethylsilane?
tert-butyl-(6-iodohex-4-en-2-yloxy)-dimethylsilane has a molecular weight of 340.32 g/mol, XLogP of 4.78, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(6-iodohex-4-en-2-yloxy)-dimethylsilane is sourced from PubChem (CID 54066938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).