tert-butyl-[[(2R,3S)-3-[(E)-1-iodoprop-1-en-2-yl]-3-methyloxiran-2-yl]methoxy]-dimethylsilane

C13H25IO2Si — CID 54597404

IUPACtert-butyl-[[(2R,3S)-3-[(E)-1-iodoprop-1-en-2-yl]-3-methyloxiran-2-yl]methoxy]-dimethylsilane
SMILESC/C(=C\I)[C@]1(C)O[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H25IO2Si/c1-10(8-14)13(5)11(16-13)9-15-17(6,7)12(2,3)4/h8,11H,9H2,1-7H3/b10-8+/t11-,13+/m1/s1
InChIKeyJPVMULHZNUPMKH-FZILPYPWSA-N
MW368.33 g/mol
LogP4.50
Rot. Bonds4

About tert-butyl-[[(2R,3S)-3-[(E)-1-iodoprop-1-en-2-yl]-3-methyloxiran-2-yl]methoxy]-dimethylsilane

tert-butyl-[[(2R,3S)-3-[(E)-1-iodoprop-1-en-2-yl]-3-methyloxiran-2-yl]methoxy]-dimethylsilane (PubChem CID 54597404) has the molecular formula C13H25IO2Si and a molecular weight of 368.33 g/mol. Its IUPAC name is tert-butyl-[[(2R,3S)-3-[(E)-1-iodoprop-1-en-2-yl]-3-methyloxiran-2-yl]methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(2R,3S)-3-[(E)-1-iodoprop-1-en-2-yl]-3-methyloxiran-2-yl]methoxy]-dimethylsilane
PubChem CID54597404
Molecular FormulaC13H25IO2Si
Molecular Weight368.33 g/mol
Exact Mass368.07
IUPAC Nametert-butyl-[[(2R,3S)-3-[(E)-1-iodoprop-1-en-2-yl]-3-methyloxiran-2-yl]methoxy]-dimethylsilane
SMILESC/C(=C\I)[C@]1(C)O[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H25IO2Si/c1-10(8-14)13(5)11(16-13)9-15-17(6,7)12(2,3)4/h8,11H,9H2,1-7H3/b10-8+/t11-,13+/m1/s1
InChIKeyJPVMULHZNUPMKH-FZILPYPWSA-N
XLogP4.50
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.33
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(2R,3S)-3-[(E)-1-iodoprop-1-en-2-yl]-3-methyloxiran-2-yl]methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[(2R,3S)-3-[(E)-1-iodoprop-1-en-2-yl]-3-methyloxiran-2-yl]methoxy]-dimethylsilane (CID 54597404) is tert-butyl-[[(2R,3S)-3-[(E)-1-iodoprop-1-en-2-yl]-3-methyloxiran-2-yl]methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(2R,3S)-3-[(E)-1-iodoprop-1-en-2-yl]-3-methyloxiran-2-yl]methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(2R,3S)-3-[(E)-1-iodoprop-1-en-2-yl]-3-methyloxiran-2-yl]methoxy]-dimethylsilane is C/C(=C\I)[C@]1(C)O[C@@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[[(2R,3S)-3-[(E)-1-iodoprop-1-en-2-yl]-3-methyloxiran-2-yl]methoxy]-dimethylsilane?
The InChIKey is JPVMULHZNUPMKH-FZILPYPWSA-N. The full InChI is InChI=1S/C13H25IO2Si/c1-10(8-14)13(5)11(16-13)9-15-17(6,7)12(2,3)4/h8,11H,9H2,1-7H3/b10-8+/t11-,13+/m1/s1.
What are the key properties of tert-butyl-[[(2R,3S)-3-[(E)-1-iodoprop-1-en-2-yl]-3-methyloxiran-2-yl]methoxy]-dimethylsilane?
tert-butyl-[[(2R,3S)-3-[(E)-1-iodoprop-1-en-2-yl]-3-methyloxiran-2-yl]methoxy]-dimethylsilane has a molecular weight of 368.33 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(2R,3S)-3-[(E)-1-iodoprop-1-en-2-yl]-3-methyloxiran-2-yl]methoxy]-dimethylsilane is sourced from PubChem (CID 54597404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).