tert-butyl-[(Z)-5-[(4R,5R)-5-[(2R)-4-iodobutan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]pent-3-enoxy]-dimethylsilane

C20H39IO3Si — CID 11329154

IUPACtert-butyl-[(Z)-5-[(4R,5R)-5-[(2R)-4-iodobutan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]pent-3-enoxy]-dimethylsilane
SMILESC[C@H](CCI)[C@H]1OC(C)(C)O[C@@H]1C/C=C\CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H39IO3Si/c1-16(13-14-21)18-17(23-20(5,6)24-18)12-10-9-11-15-22-25(7,8)19(2,3)4/h9-10,16-18H,11-15H2,1-8H3/b10-9-/t16-,17-,18-/m1/s1
InChIKeyAICMZIUYNVYYLJ-XHVFGDHJSA-N
MW482.52 g/mol
LogP6.33
Rot. Bonds9

About tert-butyl-[(Z)-5-[(4R,5R)-5-[(2R)-4-iodobutan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]pent-3-enoxy]-dimethylsilane

tert-butyl-[(Z)-5-[(4R,5R)-5-[(2R)-4-iodobutan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]pent-3-enoxy]-dimethylsilane (PubChem CID 11329154) has the molecular formula C20H39IO3Si and a molecular weight of 482.52 g/mol. Its IUPAC name is tert-butyl-[(Z)-5-[(4R,5R)-5-[(2R)-4-iodobutan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]pent-3-enoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(Z)-5-[(4R,5R)-5-[(2R)-4-iodobutan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]pent-3-enoxy]-dimethylsilane
PubChem CID11329154
Molecular FormulaC20H39IO3Si
Molecular Weight482.52 g/mol
Exact Mass482.17
IUPAC Nametert-butyl-[(Z)-5-[(4R,5R)-5-[(2R)-4-iodobutan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]pent-3-enoxy]-dimethylsilane
SMILESC[C@H](CCI)[C@H]1OC(C)(C)O[C@@H]1C/C=C\CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H39IO3Si/c1-16(13-14-21)18-17(23-20(5,6)24-18)12-10-9-11-15-22-25(7,8)19(2,3)4/h9-10,16-18H,11-15H2,1-8H3/b10-9-/t16-,17-,18-/m1/s1
InChIKeyAICMZIUYNVYYLJ-XHVFGDHJSA-N
XLogP6.33
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.52
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(Z)-5-[(4R,5R)-5-[(2R)-4-iodobutan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]pent-3-enoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(Z)-5-[(4R,5R)-5-[(2R)-4-iodobutan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]pent-3-enoxy]-dimethylsilane (CID 11329154) is tert-butyl-[(Z)-5-[(4R,5R)-5-[(2R)-4-iodobutan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]pent-3-enoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(Z)-5-[(4R,5R)-5-[(2R)-4-iodobutan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]pent-3-enoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(Z)-5-[(4R,5R)-5-[(2R)-4-iodobutan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]pent-3-enoxy]-dimethylsilane is C[C@H](CCI)[C@H]1OC(C)(C)O[C@@H]1C/C=C\CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(Z)-5-[(4R,5R)-5-[(2R)-4-iodobutan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]pent-3-enoxy]-dimethylsilane?
The InChIKey is AICMZIUYNVYYLJ-XHVFGDHJSA-N. The full InChI is InChI=1S/C20H39IO3Si/c1-16(13-14-21)18-17(23-20(5,6)24-18)12-10-9-11-15-22-25(7,8)19(2,3)4/h9-10,16-18H,11-15H2,1-8H3/b10-9-/t16-,17-,18-/m1/s1.
What are the key properties of tert-butyl-[(Z)-5-[(4R,5R)-5-[(2R)-4-iodobutan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]pent-3-enoxy]-dimethylsilane?
tert-butyl-[(Z)-5-[(4R,5R)-5-[(2R)-4-iodobutan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]pent-3-enoxy]-dimethylsilane has a molecular weight of 482.52 g/mol, XLogP of 6.33, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(Z)-5-[(4R,5R)-5-[(2R)-4-iodobutan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]pent-3-enoxy]-dimethylsilane is sourced from PubChem (CID 11329154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).