4-[tert-butyl(dimethyl)silyl]oxy-1,2,5-trimethylcyclopent-2-en-1-ol

C14H28O2Si — CID 138970503

IUPAC4-[tert-butyl(dimethyl)silyl]oxy-1,2,5-trimethylcyclopent-2-en-1-ol
SMILESCC1=CC(O[Si](C)(C)C(C)(C)C)C(C)C1(C)O
InChIInChI=1S/C14H28O2Si/c1-10-9-12(11(2)14(10,6)15)16-17(7,8)13(3,4)5/h9,11-12,15H,1-8H3
InChIKeyXYXZVXSYEYIUDJ-UHFFFAOYSA-N
MW256.46 g/mol
LogP3.72
Rot. Bonds2

About 4-[tert-butyl(dimethyl)silyl]oxy-1,2,5-trimethylcyclopent-2-en-1-ol

4-[tert-butyl(dimethyl)silyl]oxy-1,2,5-trimethylcyclopent-2-en-1-ol (PubChem CID 138970503) has the molecular formula C14H28O2Si and a molecular weight of 256.46 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxy-1,2,5-trimethylcyclopent-2-en-1-ol.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]oxy-1,2,5-trimethylcyclopent-2-en-1-ol
PubChem CID138970503
Molecular FormulaC14H28O2Si
Molecular Weight256.46 g/mol
Exact Mass256.19
IUPAC Name4-[tert-butyl(dimethyl)silyl]oxy-1,2,5-trimethylcyclopent-2-en-1-ol
SMILESCC1=CC(O[Si](C)(C)C(C)(C)C)C(C)C1(C)O
InChIInChI=1S/C14H28O2Si/c1-10-9-12(11(2)14(10,6)15)16-17(7,8)13(3,4)5/h9,11-12,15H,1-8H3
InChIKeyXYXZVXSYEYIUDJ-UHFFFAOYSA-N
XLogP3.72
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.46
LogP ≤ 53.72
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

(1R,3S)-1-(3-trimethylsilylprop-2-ynyl)cyclopent-4-ene-1,3-diol
CID 11367813
(1S,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclopent-3-en-1-ol
CID 60170022
(1S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-methylcyclopent-2-en-1-ol
CID 11345217
(1S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylcyclohex-2-en-1-ol
CID 11514402
(1S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-ethylcyclohex-2-en-1-ol
CID 12166123
(E,2R,5R,6S)-7-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylhept-3-ene-1,5-diol
CID 14525995
(E,2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-4-en-1-ol
CID 15088744
(E,2R,3R)-2,4,6,6-tetramethyl-1-triethylsilyloxyhept-4-en-3-ol
CID 102289950
(1R,3R)-1-(3-trimethylsilylprop-2-ynyl)cyclopent-4-ene-1,3-diol
CID 102380786
4-(t-Butyldimethylsilyloxymethyl)-3,4-dimethyl-cyclo-pent-2-enol
CID 129825837
(E,2R,3S,6S)-2,4,6-trimethyl-7-tri(propan-2-yl)silyloxyhept-4-ene-1,3-diol
CID 134863671
(1R,5S)-6-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylprop-2-enyl]-2-methyl-5-propan-2-yl-1-prop-2-enylcyclohex-2-en-1-ol
CID 134865794

Frequently Asked Questions

What is the IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-1,2,5-trimethylcyclopent-2-en-1-ol?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-1,2,5-trimethylcyclopent-2-en-1-ol (CID 138970503) is 4-[tert-butyl(dimethyl)silyl]oxy-1,2,5-trimethylcyclopent-2-en-1-ol.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxy-1,2,5-trimethylcyclopent-2-en-1-ol?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxy-1,2,5-trimethylcyclopent-2-en-1-ol is CC1=CC(O[Si](C)(C)C(C)(C)C)C(C)C1(C)O.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxy-1,2,5-trimethylcyclopent-2-en-1-ol?
The InChIKey is XYXZVXSYEYIUDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2Si/c1-10-9-12(11(2)14(10,6)15)16-17(7,8)13(3,4)5/h9,11-12,15H,1-8H3.
What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxy-1,2,5-trimethylcyclopent-2-en-1-ol?
4-[tert-butyl(dimethyl)silyl]oxy-1,2,5-trimethylcyclopent-2-en-1-ol has a molecular weight of 256.46 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tert-butyl(dimethyl)silyl]oxy-1,2,5-trimethylcyclopent-2-en-1-ol is sourced from PubChem (CID 138970503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).