(2-bromo-3-methylcyclopent-2-en-1-yl)oxy-tert-butyl-dimethylsilane

C12H23BrOSi — CID 121003722

IUPAC(2-bromo-3-methylcyclopent-2-en-1-yl)oxy-tert-butyl-dimethylsilane
SMILESCC1=C(Br)C(O[Si](C)(C)C(C)(C)C)CC1
InChIInChI=1S/C12H23BrOSi/c1-9-7-8-10(11(9)13)14-15(5,6)12(2,3)4/h10H,7-8H2,1-6H3
InChIKeyADWBDGYSJABJKO-UHFFFAOYSA-N
MW291.31 g/mol
LogP4.84
Rot. Bonds2

About (2-bromo-3-methylcyclopent-2-en-1-yl)oxy-tert-butyl-dimethylsilane

(2-bromo-3-methylcyclopent-2-en-1-yl)oxy-tert-butyl-dimethylsilane (PubChem CID 121003722) has the molecular formula C12H23BrOSi and a molecular weight of 291.31 g/mol. Its IUPAC name is (2-bromo-3-methylcyclopent-2-en-1-yl)oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name(2-bromo-3-methylcyclopent-2-en-1-yl)oxy-tert-butyl-dimethylsilane
PubChem CID121003722
Molecular FormulaC12H23BrOSi
Molecular Weight291.31 g/mol
Exact Mass290.07
IUPAC Name(2-bromo-3-methylcyclopent-2-en-1-yl)oxy-tert-butyl-dimethylsilane
SMILESCC1=C(Br)C(O[Si](C)(C)C(C)(C)C)CC1
InChIInChI=1S/C12H23BrOSi/c1-9-7-8-10(11(9)13)14-15(5,6)12(2,3)4/h10H,7-8H2,1-6H3
InChIKeyADWBDGYSJABJKO-UHFFFAOYSA-N
XLogP4.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

((3-Bromo-2-iodocyclopent-2-EN-1-YL)oxy)(tert-butyl)dimethylsilane
CID 11697037
[(2R)-6-bromo-3-methylidenehept-6-en-2-yl]oxy-tert-butyl-dimethylsilane
CID 166445431
(3-Bromo-2-methylcyclopent-2-enyloxy)(t-butyldimethylsilane)
CID 554538
Silane, [(3-bromo-2-methyl-2-cyclopentenyl)oxy](triethyl)
CID 568569
(2-Bromocyclopent-2-en-1-yl)oxy-tert-butyl-dimethylsilane
CID 15343801
[2-(Bromomethyl)cyclopenten-1-yl]methoxy-tert-butyl-dimethylsilane
CID 67554407
(2-Bromocyclohexen-1-yl)methoxy-tert-butyl-dimethylsilane
CID 125470785
(2-Bromocyclopenten-1-yl)methoxy-tert-butyl-dimethylsilane
CID 125472144
[(1R)-2-bromocyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane
CID 11161726
[3-bromo-2-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane
CID 11695896
(3-Bromocyclohex-2-en-1-yl)oxy-tert-butyl-dimethylsilane
CID 15695154
((3-Bromocyclopent-2-EN-1-YL)oxy)(tert-butyl)dimethylsilane
CID 72711441

Frequently Asked Questions

What is the IUPAC name of (2-bromo-3-methylcyclopent-2-en-1-yl)oxy-tert-butyl-dimethylsilane?
The IUPAC name of (2-bromo-3-methylcyclopent-2-en-1-yl)oxy-tert-butyl-dimethylsilane (CID 121003722) is (2-bromo-3-methylcyclopent-2-en-1-yl)oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for (2-bromo-3-methylcyclopent-2-en-1-yl)oxy-tert-butyl-dimethylsilane?
The canonical SMILES for (2-bromo-3-methylcyclopent-2-en-1-yl)oxy-tert-butyl-dimethylsilane is CC1=C(Br)C(O[Si](C)(C)C(C)(C)C)CC1.
What is the InChIKey of (2-bromo-3-methylcyclopent-2-en-1-yl)oxy-tert-butyl-dimethylsilane?
The InChIKey is ADWBDGYSJABJKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23BrOSi/c1-9-7-8-10(11(9)13)14-15(5,6)12(2,3)4/h10H,7-8H2,1-6H3.
What are the key properties of (2-bromo-3-methylcyclopent-2-en-1-yl)oxy-tert-butyl-dimethylsilane?
(2-bromo-3-methylcyclopent-2-en-1-yl)oxy-tert-butyl-dimethylsilane has a molecular weight of 291.31 g/mol, XLogP of 4.84, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-3-methylcyclopent-2-en-1-yl)oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 121003722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).