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

C13H23IO2Si — CID 11303067

IUPAC(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-ethenyl-2-iodocyclopent-2-en-1-ol
SMILESC=C[C@@]1(O)C[C@H](O[Si](C)(C)C(C)(C)C)C=C1I
InChIInChI=1S/C13H23IO2Si/c1-7-13(15)9-10(8-11(13)14)16-17(5,6)12(2,3)4/h7-8,10,15H,1,9H2,2-6H3/t10-,13-/m1/s1
InChIKeyLAUSMTQZQDUZOS-ZWNOBZJWSA-N
MW366.32 g/mol
LogP4.02
Rot. Bonds3

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

(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-ethenyl-2-iodocyclopent-2-en-1-ol (PubChem CID 11303067) has the molecular formula C13H23IO2Si and a molecular weight of 366.32 g/mol. Its IUPAC name is (1S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-ethenyl-2-iodocyclopent-2-en-1-ol.

Molecular Properties

Compound Name(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-ethenyl-2-iodocyclopent-2-en-1-ol
PubChem CID11303067
Molecular FormulaC13H23IO2Si
Molecular Weight366.32 g/mol
Exact Mass366.05
IUPAC Name(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-ethenyl-2-iodocyclopent-2-en-1-ol
SMILESC=C[C@@]1(O)C[C@H](O[Si](C)(C)C(C)(C)C)C=C1I
InChIInChI=1S/C13H23IO2Si/c1-7-13(15)9-10(8-11(13)14)16-17(5,6)12(2,3)4/h7-8,10,15H,1,9H2,2-6H3/t10-,13-/m1/s1
InChIKeyLAUSMTQZQDUZOS-ZWNOBZJWSA-N
XLogP4.02
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.32
LogP ≤ 54.02
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-ethenyl-2-iodocyclopent-2-en-1-ol?
The IUPAC name of (1S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-ethenyl-2-iodocyclopent-2-en-1-ol (CID 11303067) is (1S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-ethenyl-2-iodocyclopent-2-en-1-ol.
What is the SMILES notation for (1S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-ethenyl-2-iodocyclopent-2-en-1-ol?
The canonical SMILES for (1S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-ethenyl-2-iodocyclopent-2-en-1-ol is C=C[C@@]1(O)C[C@H](O[Si](C)(C)C(C)(C)C)C=C1I.
What is the InChIKey of (1S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-ethenyl-2-iodocyclopent-2-en-1-ol?
The InChIKey is LAUSMTQZQDUZOS-ZWNOBZJWSA-N. The full InChI is InChI=1S/C13H23IO2Si/c1-7-13(15)9-10(8-11(13)14)16-17(5,6)12(2,3)4/h7-8,10,15H,1,9H2,2-6H3/t10-,13-/m1/s1.
What are the key properties of (1S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-ethenyl-2-iodocyclopent-2-en-1-ol?
(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-ethenyl-2-iodocyclopent-2-en-1-ol has a molecular weight of 366.32 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-ethenyl-2-iodocyclopent-2-en-1-ol is sourced from PubChem (CID 11303067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).