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

C11H21IO2Si — CID 134967812

IUPAC(1S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-iodocyclopent-2-en-1-ol
SMILESCC(C)(C)[Si](C)(C)O[C@H]1C=C(I)[C@@H](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/t8-,10-/m0/s1
InChIKeyNIZIJIRBRVLJMX-WPRPVWTQSA-N
MW340.28 g/mol
LogP3.46
Rot. Bonds2

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

(1S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-iodocyclopent-2-en-1-ol (PubChem CID 134967812) has the molecular formula C11H21IO2Si and a molecular weight of 340.28 g/mol. Its IUPAC name is (1S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-iodocyclopent-2-en-1-ol.

Molecular Properties

Compound Name(1S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-iodocyclopent-2-en-1-ol
PubChem CID134967812
Molecular FormulaC11H21IO2Si
Molecular Weight340.28 g/mol
Exact Mass340.04
IUPAC Name(1S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-iodocyclopent-2-en-1-ol
SMILESCC(C)(C)[Si](C)(C)O[C@H]1C=C(I)[C@@H](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/t8-,10-/m0/s1
InChIKeyNIZIJIRBRVLJMX-WPRPVWTQSA-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 (1S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-iodocyclopent-2-en-1-ol?
The IUPAC name of (1S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-iodocyclopent-2-en-1-ol (CID 134967812) is (1S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-iodocyclopent-2-en-1-ol.
What is the SMILES notation for (1S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-iodocyclopent-2-en-1-ol?
The canonical SMILES for (1S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-iodocyclopent-2-en-1-ol is CC(C)(C)[Si](C)(C)O[C@H]1C=C(I)[C@@H](O)C1.
What is the InChIKey of (1S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-iodocyclopent-2-en-1-ol?
The InChIKey is NIZIJIRBRVLJMX-WPRPVWTQSA-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/t8-,10-/m0/s1.
What are the key properties of (1S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-iodocyclopent-2-en-1-ol?
(1S,4R)-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 (1S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-iodocyclopent-2-en-1-ol is sourced from PubChem (CID 134967812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).