(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-ol

C12H24O2Si — CID 24865686

IUPAC(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-ol
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1C=C[C@H](O)CC1
InChIInChI=1S/C12H24O2Si/c1-12(2,3)15(4,5)14-11-8-6-10(13)7-9-11/h6,8,10-11,13H,7,9H2,1-5H3/t10-,11+/m0/s1
InChIKeyIGIJOZLLCMZORP-WDEREUQCSA-N
MW228.41 g/mol
LogP3.09
Rot. Bonds2

About (1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-ol

(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-ol (PubChem CID 24865686) has the molecular formula C12H24O2Si and a molecular weight of 228.41 g/mol. Its IUPAC name is (1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-ol.

Molecular Properties

Compound Name(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-ol
PubChem CID24865686
Molecular FormulaC12H24O2Si
Molecular Weight228.41 g/mol
Exact Mass228.15
IUPAC Name(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-ol
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1C=C[C@H](O)CC1
InChIInChI=1S/C12H24O2Si/c1-12(2,3)15(4,5)14-11-8-6-10(13)7-9-11/h6,8,10-11,13H,7,9H2,1-5H3/t10-,11+/m0/s1
InChIKeyIGIJOZLLCMZORP-WDEREUQCSA-N
XLogP3.09
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.41
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[(1R,4R)-4-chlorocyclohex-2-en-1-yl]oxy-dimethylsilane
CID 10658111
[(1S,4R)-4-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl] acetate
CID 10978542
(3R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3,6-dihydro-2H-pyran-3-ol
CID 101098885
tert-butyl-[(1R,4S)-4-methoxycyclopent-2-en-1-yl]oxy-dimethylsilane
CID 10728073
[(1R,4S)-4-hydroxycyclohex-2-en-1-yl] 2,2-dimethylpropanoate
CID 15263359
[(1S,4R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-4-hydroxycyclohept-2-en-1-yl] acetate
CID 11012042
7-bicyclo[2.2.1]hept-2-enyloxy-tert-butyl-dimethylsilane
CID 15418774
(1S,2S,4S,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexane-1,2-diol
CID 101111315
tert-butyl-[(2Z)-cyclooct-2-en-1-yl]oxy-dimethylsilane
CID 12568500
tert-butyl-cyclodec-2-en-1-yloxy-dimethylsilane
CID 68820963
(1S,4S)-4-triethylsilyloxycyclohept-2-en-1-ol
CID 135042426
6-[tert-butyl(dimethyl)silyl]oxycyclodecan-1-ol
CID 11778782

Frequently Asked Questions

What is the IUPAC name of (1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-ol?
The IUPAC name of (1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-ol (CID 24865686) is (1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-ol.
What is the SMILES notation for (1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-ol?
The canonical SMILES for (1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-ol is CC(C)(C)[Si](C)(C)O[C@@H]1C=C[C@H](O)CC1.
What is the InChIKey of (1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-ol?
The InChIKey is IGIJOZLLCMZORP-WDEREUQCSA-N. The full InChI is InChI=1S/C12H24O2Si/c1-12(2,3)15(4,5)14-11-8-6-10(13)7-9-11/h6,8,10-11,13H,7,9H2,1-5H3/t10-,11+/m0/s1.
What are the key properties of (1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-ol?
(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-ol has a molecular weight of 228.41 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-ol is sourced from PubChem (CID 24865686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).