2-[(2S,3R)-3-iodooxolan-2-yl]ethoxy-tri(propan-2-yl)silane

C15H31IO2Si — CID 67650679

IUPAC2-[(2S,3R)-3-iodooxolan-2-yl]ethoxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](OCC[C@@H]1OCC[C@H]1I)(C(C)C)C(C)C
InChIInChI=1S/C15H31IO2Si/c1-11(2)19(12(3)4,13(5)6)18-10-8-15-14(16)7-9-17-15/h11-15H,7-10H2,1-6H3/t14-,15+/m1/s1
InChIKeyJGIZQMLBCLVGOU-CABCVRRESA-N
MW398.40 g/mol
LogP5.16
Rot. Bonds7

About 2-[(2S,3R)-3-iodooxolan-2-yl]ethoxy-tri(propan-2-yl)silane

2-[(2S,3R)-3-iodooxolan-2-yl]ethoxy-tri(propan-2-yl)silane (PubChem CID 67650679) has the molecular formula C15H31IO2Si and a molecular weight of 398.40 g/mol. Its IUPAC name is 2-[(2S,3R)-3-iodooxolan-2-yl]ethoxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name2-[(2S,3R)-3-iodooxolan-2-yl]ethoxy-tri(propan-2-yl)silane
PubChem CID67650679
Molecular FormulaC15H31IO2Si
Molecular Weight398.40 g/mol
Exact Mass398.11
IUPAC Name2-[(2S,3R)-3-iodooxolan-2-yl]ethoxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](OCC[C@@H]1OCC[C@H]1I)(C(C)C)C(C)C
InChIInChI=1S/C15H31IO2Si/c1-11(2)19(12(3)4,13(5)6)18-10-8-15-14(16)7-9-17-15/h11-15H,7-10H2,1-6H3/t14-,15+/m1/s1
InChIKeyJGIZQMLBCLVGOU-CABCVRRESA-N
XLogP5.16
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.40
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S,3R)-3-iodooxolan-2-yl]ethoxy-tri(propan-2-yl)silane?
The IUPAC name of 2-[(2S,3R)-3-iodooxolan-2-yl]ethoxy-tri(propan-2-yl)silane (CID 67650679) is 2-[(2S,3R)-3-iodooxolan-2-yl]ethoxy-tri(propan-2-yl)silane.
What is the SMILES notation for 2-[(2S,3R)-3-iodooxolan-2-yl]ethoxy-tri(propan-2-yl)silane?
The canonical SMILES for 2-[(2S,3R)-3-iodooxolan-2-yl]ethoxy-tri(propan-2-yl)silane is CC(C)[Si](OCC[C@@H]1OCC[C@H]1I)(C(C)C)C(C)C.
What is the InChIKey of 2-[(2S,3R)-3-iodooxolan-2-yl]ethoxy-tri(propan-2-yl)silane?
The InChIKey is JGIZQMLBCLVGOU-CABCVRRESA-N. The full InChI is InChI=1S/C15H31IO2Si/c1-11(2)19(12(3)4,13(5)6)18-10-8-15-14(16)7-9-17-15/h11-15H,7-10H2,1-6H3/t14-,15+/m1/s1.
What are the key properties of 2-[(2S,3R)-3-iodooxolan-2-yl]ethoxy-tri(propan-2-yl)silane?
2-[(2S,3R)-3-iodooxolan-2-yl]ethoxy-tri(propan-2-yl)silane has a molecular weight of 398.40 g/mol, XLogP of 5.16, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,3R)-3-iodooxolan-2-yl]ethoxy-tri(propan-2-yl)silane is sourced from PubChem (CID 67650679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).