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

C14H28O2Si — CID 57032808

IUPAC4-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-1-methylcyclopent-2-en-1-ol
SMILESCCC1=CC(O[Si](C)(C)C(C)(C)C)CC1(C)O
InChIInChI=1S/C14H28O2Si/c1-8-11-9-12(10-14(11,5)15)16-17(6,7)13(2,3)4/h9,12,15H,8,10H2,1-7H3
InChIKeyMGIYHLXMIYRAEU-UHFFFAOYSA-N
MW256.46 g/mol
LogP3.87
Rot. Bonds3

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

4-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-1-methylcyclopent-2-en-1-ol (PubChem CID 57032808) has the molecular formula C14H28O2Si and a molecular weight of 256.46 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-1-methylcyclopent-2-en-1-ol.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-1-methylcyclopent-2-en-1-ol
PubChem CID57032808
Molecular FormulaC14H28O2Si
Molecular Weight256.46 g/mol
Exact Mass256.19
IUPAC Name4-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-1-methylcyclopent-2-en-1-ol
SMILESCCC1=CC(O[Si](C)(C)C(C)(C)C)CC1(C)O
InChIInChI=1S/C14H28O2Si/c1-8-11-9-12(10-14(11,5)15)16-17(6,7)13(2,3)4/h9,12,15H,8,10H2,1-7H3
InChIKeyMGIYHLXMIYRAEU-UHFFFAOYSA-N
XLogP3.87
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.46
LogP ≤ 53.87
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-{[(Tert-butyldimethylsilyl)oxy]methyl}cyclohex-2-en-1-ol
CID 85788879
(1R,3S)-1-(3-trimethylsilylprop-2-ynyl)cyclopent-4-ene-1,3-diol
CID 11367813
(1R,4R)-4-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclopent-2-en-1-ol
CID 11255806
(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,4S)-4-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclopent-2-en-1-ol
CID 11782315
(1S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-ethylcyclohex-2-en-1-ol
CID 12166123
(E,4S,5S,6S)-1-[tert-butyl(dimethyl)silyl]oxy-5-methylnon-2-ene-4,6-diol
CID 44604556
(1R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-ol
CID 101808796
(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
[6-[Tert-butyl(dimethyl)silyl]oxycyclohexen-1-yl]methanol
CID 134965784

Frequently Asked Questions

What is the IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-1-methylcyclopent-2-en-1-ol?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-1-methylcyclopent-2-en-1-ol (CID 57032808) is 4-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-1-methylcyclopent-2-en-1-ol.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-1-methylcyclopent-2-en-1-ol?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-1-methylcyclopent-2-en-1-ol is CCC1=CC(O[Si](C)(C)C(C)(C)C)CC1(C)O.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-1-methylcyclopent-2-en-1-ol?
The InChIKey is MGIYHLXMIYRAEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2Si/c1-8-11-9-12(10-14(11,5)15)16-17(6,7)13(2,3)4/h9,12,15H,8,10H2,1-7H3.
What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-1-methylcyclopent-2-en-1-ol?
4-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-1-methylcyclopent-2-en-1-ol has a molecular weight of 256.46 g/mol, XLogP of 3.87, 3 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-2-ethyl-1-methylcyclopent-2-en-1-ol is sourced from PubChem (CID 57032808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).