4-[tert-butyl(dimethyl)silyl]oxy-2-iodocyclopent-2-en-1-ol

C11H21IO2Si — CID 68864796

IUPAC4-[tert-butyl(dimethyl)silyl]oxy-2-iodocyclopent-2-en-1-ol
SMILESCC(C)(C)[Si](C)(C)OC1C=C(I)C(O)C1
InChIInChI=1S/C11H21IO2Si/c1-11(2,3)15(4,5)14-8-6-9(12)10(13)7-8/h6,8,10,13H,7H2,1-5H3
InChIKeyNIZIJIRBRVLJMX-UHFFFAOYSA-N
MW340.28 g/mol
LogP3.46
Rot. Bonds2

About 4-[tert-butyl(dimethyl)silyl]oxy-2-iodocyclopent-2-en-1-ol

4-[tert-butyl(dimethyl)silyl]oxy-2-iodocyclopent-2-en-1-ol (PubChem CID 68864796) has the molecular formula C11H21IO2Si and a molecular weight of 340.28 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxy-2-iodocyclopent-2-en-1-ol.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]oxy-2-iodocyclopent-2-en-1-ol
PubChem CID68864796
Molecular FormulaC11H21IO2Si
Molecular Weight340.28 g/mol
Exact Mass340.04
IUPAC Name4-[tert-butyl(dimethyl)silyl]oxy-2-iodocyclopent-2-en-1-ol
SMILESCC(C)(C)[Si](C)(C)OC1C=C(I)C(O)C1
InChIInChI=1S/C11H21IO2Si/c1-11(2,3)15(4,5)14-8-6-9(12)10(13)7-8/h6,8,10,13H,7H2,1-5H3
InChIKeyNIZIJIRBRVLJMX-UHFFFAOYSA-N
XLogP3.46
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.28
LogP ≤ 53.46
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-2-iodocyclopent-2-en-1-ol?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-2-iodocyclopent-2-en-1-ol (CID 68864796) is 4-[tert-butyl(dimethyl)silyl]oxy-2-iodocyclopent-2-en-1-ol.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxy-2-iodocyclopent-2-en-1-ol?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxy-2-iodocyclopent-2-en-1-ol is CC(C)(C)[Si](C)(C)OC1C=C(I)C(O)C1.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxy-2-iodocyclopent-2-en-1-ol?
The InChIKey is NIZIJIRBRVLJMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21IO2Si/c1-11(2,3)15(4,5)14-8-6-9(12)10(13)7-8/h6,8,10,13H,7H2,1-5H3.
What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxy-2-iodocyclopent-2-en-1-ol?
4-[tert-butyl(dimethyl)silyl]oxy-2-iodocyclopent-2-en-1-ol has a molecular weight of 340.28 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tert-butyl(dimethyl)silyl]oxy-2-iodocyclopent-2-en-1-ol is sourced from PubChem (CID 68864796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).