(3-bromo-2-methylcyclopent-2-en-1-yl)oxy-triethylsilane

C12H23BrOSi — CID 568569

IUPAC(3-bromo-2-methylcyclopent-2-en-1-yl)oxy-triethylsilane
SMILESCC[Si](CC)(CC)OC1CCC(Br)=C1C
InChIInChI=1S/C12H23BrOSi/c1-5-15(6-2,7-3)14-12-9-8-11(13)10(12)4/h12H,5-9H2,1-4H3
InChIKeyBEXRKWNMOILVEY-UHFFFAOYSA-N
MW291.31 g/mol
LogP4.84
Rot. Bonds5

About (3-bromo-2-methylcyclopent-2-en-1-yl)oxy-triethylsilane

(3-bromo-2-methylcyclopent-2-en-1-yl)oxy-triethylsilane (PubChem CID 568569) has the molecular formula C12H23BrOSi and a molecular weight of 291.31 g/mol. Its IUPAC name is (3-bromo-2-methylcyclopent-2-en-1-yl)oxy-triethylsilane.

Molecular Properties

Compound Name(3-bromo-2-methylcyclopent-2-en-1-yl)oxy-triethylsilane
PubChem CID568569
Molecular FormulaC12H23BrOSi
Molecular Weight291.31 g/mol
Exact Mass290.07
IUPAC Name(3-bromo-2-methylcyclopent-2-en-1-yl)oxy-triethylsilane
SMILESCC[Si](CC)(CC)OC1CCC(Br)=C1C
InChIInChI=1S/C12H23BrOSi/c1-5-15(6-2,7-3)14-12-9-8-11(13)10(12)4/h12H,5-9H2,1-4H3
InChIKeyBEXRKWNMOILVEY-UHFFFAOYSA-N
XLogP4.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
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
(3-Bromo-2-methylcyclopent-2-enyloxy)(t-butyldimethylsilane)
CID 554538
(2-Bromo-3-methylcyclopent-2-en-1-yl)oxy-tert-butyl-dimethylsilane
CID 121003722
(2-Bromocyclopent-2-en-1-yl)oxy-tert-butyl-dimethylsilane
CID 15343801
(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
(1S)-3-bromo-2-cyclohexen-1-yl tert-butyl(dimethyl)silyl ether
CID 99772044
[(1R)-2-bromocyclohex-2-en-1-yl]oxy-tert-butyl-dimethylsilane
CID 101702969
(3-Bromo-2-butylcyclopent-2-en-1-yl)oxy-tert-butyl-dimethylsilane
CID 102184983

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-methylcyclopent-2-en-1-yl)oxy-triethylsilane?
The IUPAC name of (3-bromo-2-methylcyclopent-2-en-1-yl)oxy-triethylsilane (CID 568569) is (3-bromo-2-methylcyclopent-2-en-1-yl)oxy-triethylsilane.
What is the SMILES notation for (3-bromo-2-methylcyclopent-2-en-1-yl)oxy-triethylsilane?
The canonical SMILES for (3-bromo-2-methylcyclopent-2-en-1-yl)oxy-triethylsilane is CC[Si](CC)(CC)OC1CCC(Br)=C1C.
What is the InChIKey of (3-bromo-2-methylcyclopent-2-en-1-yl)oxy-triethylsilane?
The InChIKey is BEXRKWNMOILVEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23BrOSi/c1-5-15(6-2,7-3)14-12-9-8-11(13)10(12)4/h12H,5-9H2,1-4H3.
What are the key properties of (3-bromo-2-methylcyclopent-2-en-1-yl)oxy-triethylsilane?
(3-bromo-2-methylcyclopent-2-en-1-yl)oxy-triethylsilane has a molecular weight of 291.31 g/mol, XLogP of 4.84, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2-methylcyclopent-2-en-1-yl)oxy-triethylsilane is sourced from PubChem (CID 568569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).