tert-butyl-[(2-iodo-3-trimethylsilyloxycyclopenten-1-yl)methoxy]-dimethylsilane

C15H31IO2Si2 — CID 10895200

IUPACtert-butyl-[(2-iodo-3-trimethylsilyloxycyclopenten-1-yl)methoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCC1=C(I)C(O[Si](C)(C)C)CC1
InChIInChI=1S/C15H31IO2Si2/c1-15(2,3)20(7,8)17-11-12-9-10-13(14(12)16)18-19(4,5)6/h13H,9-11H2,1-8H3
InChIKeyGEMUUHCIYLFSBM-UHFFFAOYSA-N
MW426.49 g/mol
LogP5.71
Rot. Bonds5

About tert-butyl-[(2-iodo-3-trimethylsilyloxycyclopenten-1-yl)methoxy]-dimethylsilane

tert-butyl-[(2-iodo-3-trimethylsilyloxycyclopenten-1-yl)methoxy]-dimethylsilane (PubChem CID 10895200) has the molecular formula C15H31IO2Si2 and a molecular weight of 426.49 g/mol. Its IUPAC name is tert-butyl-[(2-iodo-3-trimethylsilyloxycyclopenten-1-yl)methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2-iodo-3-trimethylsilyloxycyclopenten-1-yl)methoxy]-dimethylsilane
PubChem CID10895200
Molecular FormulaC15H31IO2Si2
Molecular Weight426.49 g/mol
Exact Mass426.09
IUPAC Nametert-butyl-[(2-iodo-3-trimethylsilyloxycyclopenten-1-yl)methoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCC1=C(I)C(O[Si](C)(C)C)CC1
InChIInChI=1S/C15H31IO2Si2/c1-15(2,3)20(7,8)17-11-12-9-10-13(14(12)16)18-19(4,5)6/h13H,9-11H2,1-8H3
InChIKeyGEMUUHCIYLFSBM-UHFFFAOYSA-N
XLogP5.71
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.49
LogP ≤ 55.71
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'}

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Related Compounds

Bromozinc(1+);tert-butyl-dimethyl-[(3-trimethylsilyloxycyclopenten-1-yl)methoxy]silane
CID 134887389
Tert-butyl-dimethyl-[(3-trimethylsilyloxycyclopenten-1-yl)methoxy]silane
CID 134887390

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2-iodo-3-trimethylsilyloxycyclopenten-1-yl)methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(2-iodo-3-trimethylsilyloxycyclopenten-1-yl)methoxy]-dimethylsilane (CID 10895200) is tert-butyl-[(2-iodo-3-trimethylsilyloxycyclopenten-1-yl)methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2-iodo-3-trimethylsilyloxycyclopenten-1-yl)methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(2-iodo-3-trimethylsilyloxycyclopenten-1-yl)methoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OCC1=C(I)C(O[Si](C)(C)C)CC1.
What is the InChIKey of tert-butyl-[(2-iodo-3-trimethylsilyloxycyclopenten-1-yl)methoxy]-dimethylsilane?
The InChIKey is GEMUUHCIYLFSBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31IO2Si2/c1-15(2,3)20(7,8)17-11-12-9-10-13(14(12)16)18-19(4,5)6/h13H,9-11H2,1-8H3.
What are the key properties of tert-butyl-[(2-iodo-3-trimethylsilyloxycyclopenten-1-yl)methoxy]-dimethylsilane?
tert-butyl-[(2-iodo-3-trimethylsilyloxycyclopenten-1-yl)methoxy]-dimethylsilane has a molecular weight of 426.49 g/mol, XLogP of 5.71, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2-iodo-3-trimethylsilyloxycyclopenten-1-yl)methoxy]-dimethylsilane is sourced from PubChem (CID 10895200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).