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

C13H23BrO2Si — CID 101084790

IUPAC(1R,4R)-2-bromo-4-[tert-butyl(dimethyl)silyl]oxy-1-ethenylcyclopent-2-en-1-ol
SMILESC=C[C@]1(O)C[C@@H](O[Si](C)(C)C(C)(C)C)C=C1Br
InChIInChI=1S/C13H23BrO2Si/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-/m0/s1
InChIKeyJNXDIQAEPYQDGK-GWCFXTLKSA-N
MW319.32 g/mol
LogP3.98
Rot. Bonds3

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

(1R,4R)-2-bromo-4-[tert-butyl(dimethyl)silyl]oxy-1-ethenylcyclopent-2-en-1-ol (PubChem CID 101084790) has the molecular formula C13H23BrO2Si and a molecular weight of 319.32 g/mol. Its IUPAC name is (1R,4R)-2-bromo-4-[tert-butyl(dimethyl)silyl]oxy-1-ethenylcyclopent-2-en-1-ol.

Molecular Properties

Compound Name(1R,4R)-2-bromo-4-[tert-butyl(dimethyl)silyl]oxy-1-ethenylcyclopent-2-en-1-ol
PubChem CID101084790
Molecular FormulaC13H23BrO2Si
Molecular Weight319.32 g/mol
Exact Mass318.07
IUPAC Name(1R,4R)-2-bromo-4-[tert-butyl(dimethyl)silyl]oxy-1-ethenylcyclopent-2-en-1-ol
SMILESC=C[C@]1(O)C[C@@H](O[Si](C)(C)C(C)(C)C)C=C1Br
InChIInChI=1S/C13H23BrO2Si/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-/m0/s1
InChIKeyJNXDIQAEPYQDGK-GWCFXTLKSA-N
XLogP3.98
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R,4R)-2-bromo-4-[tert-butyl(dimethyl)silyl]oxy-1-ethenylcyclopent-2-en-1-ol?
The IUPAC name of (1R,4R)-2-bromo-4-[tert-butyl(dimethyl)silyl]oxy-1-ethenylcyclopent-2-en-1-ol (CID 101084790) is (1R,4R)-2-bromo-4-[tert-butyl(dimethyl)silyl]oxy-1-ethenylcyclopent-2-en-1-ol.
What is the SMILES notation for (1R,4R)-2-bromo-4-[tert-butyl(dimethyl)silyl]oxy-1-ethenylcyclopent-2-en-1-ol?
The canonical SMILES for (1R,4R)-2-bromo-4-[tert-butyl(dimethyl)silyl]oxy-1-ethenylcyclopent-2-en-1-ol is C=C[C@]1(O)C[C@@H](O[Si](C)(C)C(C)(C)C)C=C1Br.
What is the InChIKey of (1R,4R)-2-bromo-4-[tert-butyl(dimethyl)silyl]oxy-1-ethenylcyclopent-2-en-1-ol?
The InChIKey is JNXDIQAEPYQDGK-GWCFXTLKSA-N. The full InChI is InChI=1S/C13H23BrO2Si/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-/m0/s1.
What are the key properties of (1R,4R)-2-bromo-4-[tert-butyl(dimethyl)silyl]oxy-1-ethenylcyclopent-2-en-1-ol?
(1R,4R)-2-bromo-4-[tert-butyl(dimethyl)silyl]oxy-1-ethenylcyclopent-2-en-1-ol has a molecular weight of 319.32 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R)-2-bromo-4-[tert-butyl(dimethyl)silyl]oxy-1-ethenylcyclopent-2-en-1-ol is sourced from PubChem (CID 101084790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).