tert-butyl-[(2R,3R)-3-(1-ethoxy-2-iodoethoxy)-2-methylhex-5-enoxy]-dimethylsilane

C17H35IO3Si — CID 11123100

IUPACtert-butyl-[(2R,3R)-3-(1-ethoxy-2-iodoethoxy)-2-methylhex-5-enoxy]-dimethylsilane
SMILESC=CC[C@@H](OC(CI)OCC)[C@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H35IO3Si/c1-9-11-15(21-16(12-18)19-10-2)14(3)13-20-22(7,8)17(4,5)6/h9,14-16H,1,10-13H2,2-8H3/t14-,15-,16?/m1/s1
InChIKeyVHSFYPHDMLNMCQ-YGFGXBMJSA-N
MW442.45 g/mol
LogP5.40
Rot. Bonds11

About tert-butyl-[(2R,3R)-3-(1-ethoxy-2-iodoethoxy)-2-methylhex-5-enoxy]-dimethylsilane

tert-butyl-[(2R,3R)-3-(1-ethoxy-2-iodoethoxy)-2-methylhex-5-enoxy]-dimethylsilane (PubChem CID 11123100) has the molecular formula C17H35IO3Si and a molecular weight of 442.45 g/mol. Its IUPAC name is tert-butyl-[(2R,3R)-3-(1-ethoxy-2-iodoethoxy)-2-methylhex-5-enoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2R,3R)-3-(1-ethoxy-2-iodoethoxy)-2-methylhex-5-enoxy]-dimethylsilane
PubChem CID11123100
Molecular FormulaC17H35IO3Si
Molecular Weight442.45 g/mol
Exact Mass442.14
IUPAC Nametert-butyl-[(2R,3R)-3-(1-ethoxy-2-iodoethoxy)-2-methylhex-5-enoxy]-dimethylsilane
SMILESC=CC[C@@H](OC(CI)OCC)[C@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H35IO3Si/c1-9-11-15(21-16(12-18)19-10-2)14(3)13-20-22(7,8)17(4,5)6/h9,14-16H,1,10-13H2,2-8H3/t14-,15-,16?/m1/s1
InChIKeyVHSFYPHDMLNMCQ-YGFGXBMJSA-N
XLogP5.40
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.45
LogP ≤ 55.40
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': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2R,3R)-3-(1-ethoxy-2-iodoethoxy)-2-methylhex-5-enoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(2R,3R)-3-(1-ethoxy-2-iodoethoxy)-2-methylhex-5-enoxy]-dimethylsilane (CID 11123100) is tert-butyl-[(2R,3R)-3-(1-ethoxy-2-iodoethoxy)-2-methylhex-5-enoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2R,3R)-3-(1-ethoxy-2-iodoethoxy)-2-methylhex-5-enoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(2R,3R)-3-(1-ethoxy-2-iodoethoxy)-2-methylhex-5-enoxy]-dimethylsilane is C=CC[C@@H](OC(CI)OCC)[C@H](C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(2R,3R)-3-(1-ethoxy-2-iodoethoxy)-2-methylhex-5-enoxy]-dimethylsilane?
The InChIKey is VHSFYPHDMLNMCQ-YGFGXBMJSA-N. The full InChI is InChI=1S/C17H35IO3Si/c1-9-11-15(21-16(12-18)19-10-2)14(3)13-20-22(7,8)17(4,5)6/h9,14-16H,1,10-13H2,2-8H3/t14-,15-,16?/m1/s1.
What are the key properties of tert-butyl-[(2R,3R)-3-(1-ethoxy-2-iodoethoxy)-2-methylhex-5-enoxy]-dimethylsilane?
tert-butyl-[(2R,3R)-3-(1-ethoxy-2-iodoethoxy)-2-methylhex-5-enoxy]-dimethylsilane has a molecular weight of 442.45 g/mol, XLogP of 5.40, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2R,3R)-3-(1-ethoxy-2-iodoethoxy)-2-methylhex-5-enoxy]-dimethylsilane is sourced from PubChem (CID 11123100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).