tert-butyl-[[(4S,5S)-5-[(E)-2-iodoethenyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane

C14H27IO3Si — CID 11383952

IUPACtert-butyl-[[(4S,5S)-5-[(E)-2-iodoethenyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane
SMILESCC1(C)O[C@@H](/C=C/I)[C@H](CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C14H27IO3Si/c1-13(2,3)19(6,7)16-10-12-11(8-9-15)17-14(4,5)18-12/h8-9,11-12H,10H2,1-7H3/b9-8+/t11-,12-/m0/s1
InChIKeyWGQDEBXAXYUPSI-OMJLJAAMSA-N
MW398.36 g/mol
LogP4.48
Rot. Bonds4

About tert-butyl-[[(4S,5S)-5-[(E)-2-iodoethenyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane

tert-butyl-[[(4S,5S)-5-[(E)-2-iodoethenyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane (PubChem CID 11383952) has the molecular formula C14H27IO3Si and a molecular weight of 398.36 g/mol. Its IUPAC name is tert-butyl-[[(4S,5S)-5-[(E)-2-iodoethenyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(4S,5S)-5-[(E)-2-iodoethenyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane
PubChem CID11383952
Molecular FormulaC14H27IO3Si
Molecular Weight398.36 g/mol
Exact Mass398.08
IUPAC Nametert-butyl-[[(4S,5S)-5-[(E)-2-iodoethenyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane
SMILESCC1(C)O[C@@H](/C=C/I)[C@H](CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C14H27IO3Si/c1-13(2,3)19(6,7)16-10-12-11(8-9-15)17-14(4,5)18-12/h8-9,11-12H,10H2,1-7H3/b9-8+/t11-,12-/m0/s1
InChIKeyWGQDEBXAXYUPSI-OMJLJAAMSA-N
XLogP4.48
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.36
LogP ≤ 54.48
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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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(4S,5S)-5-[(E)-2-iodoethenyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[(4S,5S)-5-[(E)-2-iodoethenyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane (CID 11383952) is tert-butyl-[[(4S,5S)-5-[(E)-2-iodoethenyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(4S,5S)-5-[(E)-2-iodoethenyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(4S,5S)-5-[(E)-2-iodoethenyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane is CC1(C)O[C@@H](/C=C/I)[C@H](CO[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of tert-butyl-[[(4S,5S)-5-[(E)-2-iodoethenyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane?
The InChIKey is WGQDEBXAXYUPSI-OMJLJAAMSA-N. The full InChI is InChI=1S/C14H27IO3Si/c1-13(2,3)19(6,7)16-10-12-11(8-9-15)17-14(4,5)18-12/h8-9,11-12H,10H2,1-7H3/b9-8+/t11-,12-/m0/s1.
What are the key properties of tert-butyl-[[(4S,5S)-5-[(E)-2-iodoethenyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane?
tert-butyl-[[(4S,5S)-5-[(E)-2-iodoethenyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane has a molecular weight of 398.36 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(4S,5S)-5-[(E)-2-iodoethenyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane is sourced from PubChem (CID 11383952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).