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

C12H24O2Si — CID 11345217

IUPAC(1S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-methylcyclopent-2-en-1-ol
SMILESCC(C)(C)[Si](C)(C)O[C@H]1C=C[C@@](C)(O)C1
InChIInChI=1S/C12H24O2Si/c1-11(2,3)15(5,6)14-10-7-8-12(4,13)9-10/h7-8,10,13H,9H2,1-6H3/t10-,12+/m0/s1
InChIKeyQEQFLMGJLAQUMI-CMPLNLGQSA-N
MW228.41 g/mol
LogP3.09
Rot. Bonds2

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

(1S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-methylcyclopent-2-en-1-ol (PubChem CID 11345217) has the molecular formula C12H24O2Si and a molecular weight of 228.41 g/mol. Its IUPAC name is (1S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-methylcyclopent-2-en-1-ol.

Molecular Properties

Compound Name(1S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-methylcyclopent-2-en-1-ol
PubChem CID11345217
Molecular FormulaC12H24O2Si
Molecular Weight228.41 g/mol
Exact Mass228.15
IUPAC Name(1S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-methylcyclopent-2-en-1-ol
SMILESCC(C)(C)[Si](C)(C)O[C@H]1C=C[C@@](C)(O)C1
InChIInChI=1S/C12H24O2Si/c1-11(2,3)15(5,6)14-10-7-8-12(4,13)9-10/h7-8,10,13H,9H2,1-6H3/t10-,12+/m0/s1
InChIKeyQEQFLMGJLAQUMI-CMPLNLGQSA-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

2-Cyclopenten-1-ol, 4-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-, cis-
CID 10176747
(4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorocyclopent-2-en-1-ol
CID 134895597
(Z,3S,5S,8S)-2,2-dimethyl-8-trimethylsilylnon-6-ene-3,5-diol
CID 10682670
(Z)-2-methyl-3-(trimethylsilylmethyl)oct-3-ene-2,7-diol
CID 13508268
Rel-(1R,4S)-4-((tert-butyldimethylsilyl)oxy)cyclopent-2-en-1-ol
CID 10910904
(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol
CID 11020261
(1R,3S)-1-(3-trimethylsilylprop-2-ynyl)cyclopent-4-ene-1,3-diol
CID 11367813
(1r, 3r)-1-(Tert-butyl-dimethylsiloxy)-3-hydroxy-4-cyclopentene
CID 10878531
(Z,3S,5S,8R)-2,2-dimethyl-8-trimethylsilylnon-6-ene-3,5-diol
CID 10706388
(E,4S,6S)-7-[tert-butyl(dimethyl)silyl]oxy-6-methylhept-2-en-4-ol
CID 11402685
(E,2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-4-en-1-ol
CID 15088744
(E,5S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhept-2-en-1-ol
CID 46933874

Frequently Asked Questions

What is the IUPAC name of (1S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-methylcyclopent-2-en-1-ol?
The IUPAC name of (1S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-methylcyclopent-2-en-1-ol (CID 11345217) is (1S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-methylcyclopent-2-en-1-ol.
What is the SMILES notation for (1S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-methylcyclopent-2-en-1-ol?
The canonical SMILES for (1S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-methylcyclopent-2-en-1-ol is CC(C)(C)[Si](C)(C)O[C@H]1C=C[C@@](C)(O)C1.
What is the InChIKey of (1S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-methylcyclopent-2-en-1-ol?
The InChIKey is QEQFLMGJLAQUMI-CMPLNLGQSA-N. The full InChI is InChI=1S/C12H24O2Si/c1-11(2,3)15(5,6)14-10-7-8-12(4,13)9-10/h7-8,10,13H,9H2,1-6H3/t10-,12+/m0/s1.
What are the key properties of (1S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-methylcyclopent-2-en-1-ol?
(1S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-methylcyclopent-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 (1S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-methylcyclopent-2-en-1-ol is sourced from PubChem (CID 11345217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).