[(4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2-fluoroethyl)cyclohexen-1-yl]methanol

C15H29FO2Si — CID 10779745

IUPAC[(4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2-fluoroethyl)cyclohexen-1-yl]methanol
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CC=C(CO)[C@@H](CCF)C1
InChIInChI=1S/C15H29FO2Si/c1-15(2,3)19(4,5)18-14-7-6-13(11-17)12(10-14)8-9-16/h6,12,14,17H,7-11H2,1-5H3/t12-,14+/m0/s1
InChIKeyFFCQMKIHFVHATR-GXTWGEPZSA-N
MW288.48 g/mol
LogP4.07
Rot. Bonds5

About [(4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2-fluoroethyl)cyclohexen-1-yl]methanol

[(4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2-fluoroethyl)cyclohexen-1-yl]methanol (PubChem CID 10779745) has the molecular formula C15H29FO2Si and a molecular weight of 288.48 g/mol. Its IUPAC name is [(4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2-fluoroethyl)cyclohexen-1-yl]methanol.

Molecular Properties

Compound Name[(4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2-fluoroethyl)cyclohexen-1-yl]methanol
PubChem CID10779745
Molecular FormulaC15H29FO2Si
Molecular Weight288.48 g/mol
Exact Mass288.19
IUPAC Name[(4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2-fluoroethyl)cyclohexen-1-yl]methanol
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CC=C(CO)[C@@H](CCF)C1
InChIInChI=1S/C15H29FO2Si/c1-15(2,3)19(4,5)18-14-7-6-13(11-17)12(10-14)8-9-16/h6,12,14,17H,7-11H2,1-5H3/t12-,14+/m0/s1
InChIKeyFFCQMKIHFVHATR-GXTWGEPZSA-N
XLogP4.07
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.07
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

(1S,4R,6R)-4-ethenyl-6-methyl-3-trimethylsilyloxycyclohex-2-en-1-ol
CID 12771827
(1E,3S,4S,7Z)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-cyclohexyl-4-methyldeca-1,7-dien-3-ol
CID 14447627
(2S,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-1,6-dimethyl-4-propan-2-yl-2,3,4,4a,5,8-hexahydronaphthalen-2-ol
CID 134865796
(E,4S,5S)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethylnon-2-en-1-ol
CID 134883122
(Z,1S)-1-[(1S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl]but-2-en-1-ol
CID 164671236
(E,1R)-1-[(1S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl]but-2-en-1-ol
CID 164671237
2-Buten-1-ol, 4-(2-(((1,1-dimethylethyl)dimethylsilyl)oxy)cyclohexyl)-2-methyl-, (1alpha(E),2beta)-
CID 6442725
[(4R,5R,6R)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(3-fluoropropyl)cyclohexen-1-yl]methanol
CID 10365542
[(4R,5S,6S)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(4-fluorobutyl)cyclohexen-1-yl]methanol
CID 10388895
(2Z)-2-[(3R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-(2-fluoroethyl)-2-methylidenecyclohexylidene]ethanol
CID 10805241
(E)-1-(6-methylcyclohexen-1-yl)-3-trimethylsilylprop-2-en-1-ol
CID 13212260
2-[3-[[Tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-en-1-yl]ethanol
CID 21879599

Frequently Asked Questions

What is the IUPAC name of [(4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2-fluoroethyl)cyclohexen-1-yl]methanol?
The IUPAC name of [(4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2-fluoroethyl)cyclohexen-1-yl]methanol (CID 10779745) is [(4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2-fluoroethyl)cyclohexen-1-yl]methanol.
What is the SMILES notation for [(4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2-fluoroethyl)cyclohexen-1-yl]methanol?
The canonical SMILES for [(4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2-fluoroethyl)cyclohexen-1-yl]methanol is CC(C)(C)[Si](C)(C)O[C@@H]1CC=C(CO)[C@@H](CCF)C1.
What is the InChIKey of [(4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2-fluoroethyl)cyclohexen-1-yl]methanol?
The InChIKey is FFCQMKIHFVHATR-GXTWGEPZSA-N. The full InChI is InChI=1S/C15H29FO2Si/c1-15(2,3)19(4,5)18-14-7-6-13(11-17)12(10-14)8-9-16/h6,12,14,17H,7-11H2,1-5H3/t12-,14+/m0/s1.
What are the key properties of [(4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2-fluoroethyl)cyclohexen-1-yl]methanol?
[(4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2-fluoroethyl)cyclohexen-1-yl]methanol has a molecular weight of 288.48 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2-fluoroethyl)cyclohexen-1-yl]methanol is sourced from PubChem (CID 10779745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).