4-[(2S,3R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxiran-2-yl]but-2-en-1-ol

C14H28O3Si — CID 91163292

IUPAC4-[(2S,3R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxiran-2-yl]but-2-en-1-ol
SMILESCC(C)(C)[Si](C)(C)OCC[C@H]1O[C@H]1CC=CCO
InChIInChI=1S/C14H28O3Si/c1-14(2,3)18(4,5)16-11-9-13-12(17-13)8-6-7-10-15/h6-7,12-13,15H,8-11H2,1-5H3/t12-,13+/m0/s1
InChIKeyQDKKBPOZILNXNQ-QWHCGFSZSA-N
MW272.46 g/mol
LogP3.10
Rot. Bonds7

About 4-[(2S,3R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxiran-2-yl]but-2-en-1-ol

4-[(2S,3R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxiran-2-yl]but-2-en-1-ol (PubChem CID 91163292) has the molecular formula C14H28O3Si and a molecular weight of 272.46 g/mol. Its IUPAC name is 4-[(2S,3R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxiran-2-yl]but-2-en-1-ol.

Molecular Properties

Compound Name4-[(2S,3R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxiran-2-yl]but-2-en-1-ol
PubChem CID91163292
Molecular FormulaC14H28O3Si
Molecular Weight272.46 g/mol
Exact Mass272.18
IUPAC Name4-[(2S,3R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxiran-2-yl]but-2-en-1-ol
SMILESCC(C)(C)[Si](C)(C)OCC[C@H]1O[C@H]1CC=CCO
InChIInChI=1S/C14H28O3Si/c1-14(2,3)18(4,5)16-11-9-13-12(17-13)8-6-7-10-15/h6-7,12-13,15H,8-11H2,1-5H3/t12-,13+/m0/s1
InChIKeyQDKKBPOZILNXNQ-QWHCGFSZSA-N
XLogP3.10
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.46
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[(2S,3R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxiran-2-yl]but-2-en-1-ol with MolForge

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Launch Full Analysis

Related Compounds

(Z)-3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]prop-2-en-1-ol
CID 44397489
(E)-4-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]but-2-en-1-ol
CID 44397485
(E)-3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]prop-2-en-1-ol
CID 10967661
(Z)-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]prop-2-en-1-ol
CID 44420199
(Z)-3-[(2S,3R)-3-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2-methyloxiran-2-yl]prop-2-en-1-ol
CID 14525993
(E,2R)-1-[(2R)-oxiran-2-yl]-6-trimethylsilylhex-4-en-2-ol
CID 154710790
(Z)-4-[(2S,3R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxiran-2-yl]but-2-en-1-ol
CID 60091594
4-[Tert-butyl(dimethyl)silyl]oxyoct-2-en-1-ol
CID 76383029
5-[Tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-ol
CID 155745511
(1S,2S,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-7-oxabicyclo[4.1.0]hept-3-en-2-ol
CID 10705354
(E,7R)-7-[tert-butyl(dimethyl)silyl]oxyoct-2-en-1-ol
CID 10706387
(1R,2R,5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methyl-7-oxabicyclo[4.1.0]hept-3-en-2-ol
CID 10858105

Frequently Asked Questions

What is the IUPAC name of 4-[(2S,3R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxiran-2-yl]but-2-en-1-ol?
The IUPAC name of 4-[(2S,3R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxiran-2-yl]but-2-en-1-ol (CID 91163292) is 4-[(2S,3R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxiran-2-yl]but-2-en-1-ol.
What is the SMILES notation for 4-[(2S,3R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxiran-2-yl]but-2-en-1-ol?
The canonical SMILES for 4-[(2S,3R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxiran-2-yl]but-2-en-1-ol is CC(C)(C)[Si](C)(C)OCC[C@H]1O[C@H]1CC=CCO.
What is the InChIKey of 4-[(2S,3R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxiran-2-yl]but-2-en-1-ol?
The InChIKey is QDKKBPOZILNXNQ-QWHCGFSZSA-N. The full InChI is InChI=1S/C14H28O3Si/c1-14(2,3)18(4,5)16-11-9-13-12(17-13)8-6-7-10-15/h6-7,12-13,15H,8-11H2,1-5H3/t12-,13+/m0/s1.
What are the key properties of 4-[(2S,3R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxiran-2-yl]but-2-en-1-ol?
4-[(2S,3R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxiran-2-yl]but-2-en-1-ol has a molecular weight of 272.46 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S,3R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxiran-2-yl]but-2-en-1-ol is sourced from PubChem (CID 91163292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).