[(1S)-3-bromocyclohex-2-en-1-yl]oxy-tert-butyl-dimethylsilane

C12H23BrOSi — CID 99772044

IUPAC[(1S)-3-bromocyclohex-2-en-1-yl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1C=C(Br)CCC1
InChIInChI=1S/C12H23BrOSi/c1-12(2,3)15(4,5)14-11-8-6-7-10(13)9-11/h9,11H,6-8H2,1-5H3/t11-/m0/s1
InChIKeyYQKXJUXZAZVCIS-NSHDSACASA-N
MW291.31 g/mol
LogP4.84
Rot. Bonds2

About [(1S)-3-bromocyclohex-2-en-1-yl]oxy-tert-butyl-dimethylsilane

[(1S)-3-bromocyclohex-2-en-1-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 99772044) has the molecular formula C12H23BrOSi and a molecular weight of 291.31 g/mol. Its IUPAC name is [(1S)-3-bromocyclohex-2-en-1-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(1S)-3-bromocyclohex-2-en-1-yl]oxy-tert-butyl-dimethylsilane
PubChem CID99772044
Molecular FormulaC12H23BrOSi
Molecular Weight291.31 g/mol
Exact Mass290.07
IUPAC Name[(1S)-3-bromocyclohex-2-en-1-yl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1C=C(Br)CCC1
InChIInChI=1S/C12H23BrOSi/c1-12(2,3)15(4,5)14-11-8-6-7-10(13)9-11/h9,11H,6-8H2,1-5H3/t11-/m0/s1
InChIKeyYQKXJUXZAZVCIS-NSHDSACASA-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'}

Analyze [(1S)-3-bromocyclohex-2-en-1-yl]oxy-tert-butyl-dimethylsilane with MolForge

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

Launch Full Analysis

Related Compounds

tert-Butyl(cyclohex-2-enyloxy)dimethylsilane
CID 11085130
[(Z,2S)-4-bromo-4-(cyclohexen-1-yl)but-3-en-2-yl]oxy-tert-butyl-dimethylsilane
CID 11152147
Bromomethyl-cyclohex-2-en-1-yloxy-dimethylsilane
CID 13272633
Cyclohex-2-en-1-yloxy(triethyl)silane
CID 86123156
[(E)-7-bromooct-6-enoxy]-tert-butyl-dimethylsilane
CID 135007678
[(E)-2-bromohept-2-enoxy]-tert-butyl-dimethylsilane
CID 138984605
[(2R)-6-bromo-3-methylidenehept-6-en-2-yl]oxy-tert-butyl-dimethylsilane
CID 166445431
[1-(Bromocyclohexylidenemethyl)allyloxy]trimethylsilane
CID 552655
(3-Bromo-2-methylcyclopent-2-enyloxy)(t-butyldimethylsilane)
CID 554538
Silane, [(3-bromo-2-methyl-2-cyclopentenyl)oxy](triethyl)
CID 568569
(2-Bromo-3-methylcyclopent-2-en-1-yl)oxy-tert-butyl-dimethylsilane
CID 121003722
tert-butyl-[(1S)-cyclohex-2-en-1-yl]oxy-dimethylsilane
CID 12552369

Frequently Asked Questions

What is the IUPAC name of [(1S)-3-bromocyclohex-2-en-1-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(1S)-3-bromocyclohex-2-en-1-yl]oxy-tert-butyl-dimethylsilane (CID 99772044) is [(1S)-3-bromocyclohex-2-en-1-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(1S)-3-bromocyclohex-2-en-1-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(1S)-3-bromocyclohex-2-en-1-yl]oxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)O[C@@H]1C=C(Br)CCC1.
What is the InChIKey of [(1S)-3-bromocyclohex-2-en-1-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is YQKXJUXZAZVCIS-NSHDSACASA-N. The full InChI is InChI=1S/C12H23BrOSi/c1-12(2,3)15(4,5)14-11-8-6-7-10(13)9-11/h9,11H,6-8H2,1-5H3/t11-/m0/s1.
What are the key properties of [(1S)-3-bromocyclohex-2-en-1-yl]oxy-tert-butyl-dimethylsilane?
[(1S)-3-bromocyclohex-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 [(1S)-3-bromocyclohex-2-en-1-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 99772044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).