tert-butyl-[(1R,4R)-4-chlorocyclohex-2-en-1-yl]oxy-dimethylsilane

C12H23ClOSi — CID 10658111

IUPACtert-butyl-[(1R,4R)-4-chlorocyclohex-2-en-1-yl]oxy-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@H]1C=C[C@H](Cl)CC1
InChIInChI=1S/C12H23ClOSi/c1-12(2,3)15(4,5)14-11-8-6-10(13)7-9-11/h6,8,10-11H,7,9H2,1-5H3/t10-,11-/m0/s1
InChIKeyAKQJECWARDOTDJ-QWRGUYRKSA-N
MW246.85 g/mol
LogP4.33
Rot. Bonds2

About tert-butyl-[(1R,4R)-4-chlorocyclohex-2-en-1-yl]oxy-dimethylsilane

tert-butyl-[(1R,4R)-4-chlorocyclohex-2-en-1-yl]oxy-dimethylsilane (PubChem CID 10658111) has the molecular formula C12H23ClOSi and a molecular weight of 246.85 g/mol. Its IUPAC name is tert-butyl-[(1R,4R)-4-chlorocyclohex-2-en-1-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1R,4R)-4-chlorocyclohex-2-en-1-yl]oxy-dimethylsilane
PubChem CID10658111
Molecular FormulaC12H23ClOSi
Molecular Weight246.85 g/mol
Exact Mass246.12
IUPAC Nametert-butyl-[(1R,4R)-4-chlorocyclohex-2-en-1-yl]oxy-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@H]1C=C[C@H](Cl)CC1
InChIInChI=1S/C12H23ClOSi/c1-12(2,3)15(4,5)14-11-8-6-10(13)7-9-11/h6,8,10-11H,7,9H2,1-5H3/t10-,11-/m0/s1
InChIKeyAKQJECWARDOTDJ-QWRGUYRKSA-N
XLogP4.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.85
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-ol
CID 24865686
[(1S,4R)-4-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl] acetate
CID 10978542
tert-butyl-[(1R,4S)-4-methoxycyclopent-2-en-1-yl]oxy-dimethylsilane
CID 10728073
7-bicyclo[2.2.1]hept-2-enyloxy-tert-butyl-dimethylsilane
CID 15418774
tert-butyl-[(2Z)-cyclooct-2-en-1-yl]oxy-dimethylsilane
CID 12568500
tert-butyl-cyclodec-2-en-1-yloxy-dimethylsilane
CID 68820963
(3-bromocyclopent-2-en-1-yl)oxy-tert-butyl-dimethylsilane
CID 72711441
tert-butyl-(3-iodo-4-trimethylsilyloxycyclohex-2-en-1-yl)oxy-dimethylsilane
CID 11026310
(4S)-2-bromo-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one
CID 10708674
tert-butyl-dimethyl-[(1S,4R)-4-(2-phenylpropan-2-yloxy)cyclopent-2-en-1-yl]oxysilane
CID 11823786
tert-butyl-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-dimethylsilane;tert-butyl-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-dimethylsilane
CID 158464609
tert-butyl-cyclohept-4-en-1-yloxy-dimethylsilane
CID 11085508

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1R,4R)-4-chlorocyclohex-2-en-1-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(1R,4R)-4-chlorocyclohex-2-en-1-yl]oxy-dimethylsilane (CID 10658111) is tert-butyl-[(1R,4R)-4-chlorocyclohex-2-en-1-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1R,4R)-4-chlorocyclohex-2-en-1-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(1R,4R)-4-chlorocyclohex-2-en-1-yl]oxy-dimethylsilane is CC(C)(C)[Si](C)(C)O[C@H]1C=C[C@H](Cl)CC1.
What is the InChIKey of tert-butyl-[(1R,4R)-4-chlorocyclohex-2-en-1-yl]oxy-dimethylsilane?
The InChIKey is AKQJECWARDOTDJ-QWRGUYRKSA-N. The full InChI is InChI=1S/C12H23ClOSi/c1-12(2,3)15(4,5)14-11-8-6-10(13)7-9-11/h6,8,10-11H,7,9H2,1-5H3/t10-,11-/m0/s1.
What are the key properties of tert-butyl-[(1R,4R)-4-chlorocyclohex-2-en-1-yl]oxy-dimethylsilane?
tert-butyl-[(1R,4R)-4-chlorocyclohex-2-en-1-yl]oxy-dimethylsilane has a molecular weight of 246.85 g/mol, XLogP of 4.33, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1R,4R)-4-chlorocyclohex-2-en-1-yl]oxy-dimethylsilane is sourced from PubChem (CID 10658111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).