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

C15H29BrO2Si — CID 177454774

IUPAC2-bromo-1-tert-butyl-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol
SMILESCC(C)(C)C1(O)CC(O[Si](C)(C)C(C)(C)C)C=C1Br
InChIInChI=1S/C15H29BrO2Si/c1-13(2,3)15(17)10-11(9-12(15)16)18-19(7,8)14(4,5)6/h9,11,17H,10H2,1-8H3
InChIKeyQUEOTOKLHVIZQH-UHFFFAOYSA-N
MW349.39 g/mol
LogP4.84
Rot. Bonds2

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

2-bromo-1-tert-butyl-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol (PubChem CID 177454774) has the molecular formula C15H29BrO2Si and a molecular weight of 349.39 g/mol. Its IUPAC name is 2-bromo-1-tert-butyl-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol.

Molecular Properties

Compound Name2-bromo-1-tert-butyl-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol
PubChem CID177454774
Molecular FormulaC15H29BrO2Si
Molecular Weight349.39 g/mol
Exact Mass348.11
IUPAC Name2-bromo-1-tert-butyl-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol
SMILESCC(C)(C)C1(O)CC(O[Si](C)(C)C(C)(C)C)C=C1Br
InChIInChI=1S/C15H29BrO2Si/c1-13(2,3)15(17)10-11(9-12(15)16)18-19(7,8)14(4,5)6/h9,11,17H,10H2,1-8H3
InChIKeyQUEOTOKLHVIZQH-UHFFFAOYSA-N
XLogP4.84
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-tert-butyl-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol?
The IUPAC name of 2-bromo-1-tert-butyl-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol (CID 177454774) is 2-bromo-1-tert-butyl-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol.
What is the SMILES notation for 2-bromo-1-tert-butyl-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol?
The canonical SMILES for 2-bromo-1-tert-butyl-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol is CC(C)(C)C1(O)CC(O[Si](C)(C)C(C)(C)C)C=C1Br.
What is the InChIKey of 2-bromo-1-tert-butyl-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol?
The InChIKey is QUEOTOKLHVIZQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29BrO2Si/c1-13(2,3)15(17)10-11(9-12(15)16)18-19(7,8)14(4,5)6/h9,11,17H,10H2,1-8H3.
What are the key properties of 2-bromo-1-tert-butyl-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol?
2-bromo-1-tert-butyl-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol has a molecular weight of 349.39 g/mol, XLogP of 4.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-tert-butyl-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol is sourced from PubChem (CID 177454774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).