(1S,4S)-2-bromo-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol

C11H21BrO2Si — CID 59835534

IUPAC(1S,4S)-2-bromo-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1C=C(Br)[C@@H](O)C1
InChIInChI=1S/C11H21BrO2Si/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+/m1/s1
InChIKeyBPPGQIDYASNWJR-SCZZXKLOSA-N
MW293.28 g/mol
LogP3.42
Rot. Bonds2

About (1S,4S)-2-bromo-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol

(1S,4S)-2-bromo-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol (PubChem CID 59835534) has the molecular formula C11H21BrO2Si and a molecular weight of 293.28 g/mol. Its IUPAC name is (1S,4S)-2-bromo-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol.

Molecular Properties

Compound Name(1S,4S)-2-bromo-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol
PubChem CID59835534
Molecular FormulaC11H21BrO2Si
Molecular Weight293.28 g/mol
Exact Mass292.05
IUPAC Name(1S,4S)-2-bromo-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1C=C(Br)[C@@H](O)C1
InChIInChI=1S/C11H21BrO2Si/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+/m1/s1
InChIKeyBPPGQIDYASNWJR-SCZZXKLOSA-N
XLogP3.42
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.28
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1S,4S)-2-bromo-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S,4S)-2-bromo-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol?
The IUPAC name of (1S,4S)-2-bromo-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol (CID 59835534) is (1S,4S)-2-bromo-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol.
What is the SMILES notation for (1S,4S)-2-bromo-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol?
The canonical SMILES for (1S,4S)-2-bromo-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol is CC(C)(C)[Si](C)(C)O[C@@H]1C=C(Br)[C@@H](O)C1.
What is the InChIKey of (1S,4S)-2-bromo-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol?
The InChIKey is BPPGQIDYASNWJR-SCZZXKLOSA-N. The full InChI is InChI=1S/C11H21BrO2Si/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+/m1/s1.
What are the key properties of (1S,4S)-2-bromo-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol?
(1S,4S)-2-bromo-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol has a molecular weight of 293.28 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4S)-2-bromo-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol is sourced from PubChem (CID 59835534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).