(E,2R,3R)-2-[(2S)-oxiran-2-yl]-8-trimethylsilyloct-5-en-7-yn-3-ol

C13H22O2Si — CID 11253416

IUPAC(E,2R,3R)-2-[(2S)-oxiran-2-yl]-8-trimethylsilyloct-5-en-7-yn-3-ol
SMILESC[C@H]([C@H](O)C/C=C/C#C[Si](C)(C)C)[C@H]1CO1
InChIInChI=1S/C13H22O2Si/c1-11(13-10-15-13)12(14)8-6-5-7-9-16(2,3)4/h5-6,11-14H,8,10H2,1-4H3/b6-5+/t11-,12-,13-/m1/s1
InChIKeyNNVGXFRKUQPTKK-ZAGQHCIPSA-N
MW238.40 g/mol
LogP2.21
Rot. Bonds4

About (E,2R,3R)-2-[(2S)-oxiran-2-yl]-8-trimethylsilyloct-5-en-7-yn-3-ol

(E,2R,3R)-2-[(2S)-oxiran-2-yl]-8-trimethylsilyloct-5-en-7-yn-3-ol (PubChem CID 11253416) has the molecular formula C13H22O2Si and a molecular weight of 238.40 g/mol. Its IUPAC name is (E,2R,3R)-2-[(2S)-oxiran-2-yl]-8-trimethylsilyloct-5-en-7-yn-3-ol.

Molecular Properties

Compound Name(E,2R,3R)-2-[(2S)-oxiran-2-yl]-8-trimethylsilyloct-5-en-7-yn-3-ol
PubChem CID11253416
Molecular FormulaC13H22O2Si
Molecular Weight238.40 g/mol
Exact Mass238.14
IUPAC Name(E,2R,3R)-2-[(2S)-oxiran-2-yl]-8-trimethylsilyloct-5-en-7-yn-3-ol
SMILESC[C@H]([C@H](O)C/C=C/C#C[Si](C)(C)C)[C@H]1CO1
InChIInChI=1S/C13H22O2Si/c1-11(13-10-15-13)12(14)8-6-5-7-9-16(2,3)4/h5-6,11-14H,8,10H2,1-4H3/b6-5+/t11-,12-,13-/m1/s1
InChIKeyNNVGXFRKUQPTKK-ZAGQHCIPSA-N
XLogP2.21
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E,2R,3R)-2-[(2S)-oxiran-2-yl]-8-trimethylsilyloct-5-en-7-yn-3-ol with MolForge

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Launch Full Analysis

Related Compounds

[(1R,6R)-6-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]methanol
CID 134859641
(3R)-3-ethenyl-7-trimethylsilylhept-6-yne-1,4-diol
CID 134895193
(3R,4S)-4-[(E)-prop-1-enyl]-1-trimethylsilyloct-1-yn-3-ol
CID 134972259
(E,2R)-1-[(2R)-oxiran-2-yl]-6-trimethylsilylhex-4-en-2-ol
CID 154710790
2-[(1R,5S)-5-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]ethanol
CID 59317318
2-[2-[Tert-butyl(dimethyl)silyl]oxyethyl]cyclopent-3-en-1-ol
CID 67853975
2-[(1R)-5-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]ethanol
CID 173725326
(3R,4R)-3-ethenyl-7-trimethylsilylhept-6-yne-1,4-diol
CID 13916979

Frequently Asked Questions

What is the IUPAC name of (E,2R,3R)-2-[(2S)-oxiran-2-yl]-8-trimethylsilyloct-5-en-7-yn-3-ol?
The IUPAC name of (E,2R,3R)-2-[(2S)-oxiran-2-yl]-8-trimethylsilyloct-5-en-7-yn-3-ol (CID 11253416) is (E,2R,3R)-2-[(2S)-oxiran-2-yl]-8-trimethylsilyloct-5-en-7-yn-3-ol.
What is the SMILES notation for (E,2R,3R)-2-[(2S)-oxiran-2-yl]-8-trimethylsilyloct-5-en-7-yn-3-ol?
The canonical SMILES for (E,2R,3R)-2-[(2S)-oxiran-2-yl]-8-trimethylsilyloct-5-en-7-yn-3-ol is C[C@H]([C@H](O)C/C=C/C#C[Si](C)(C)C)[C@H]1CO1.
What is the InChIKey of (E,2R,3R)-2-[(2S)-oxiran-2-yl]-8-trimethylsilyloct-5-en-7-yn-3-ol?
The InChIKey is NNVGXFRKUQPTKK-ZAGQHCIPSA-N. The full InChI is InChI=1S/C13H22O2Si/c1-11(13-10-15-13)12(14)8-6-5-7-9-16(2,3)4/h5-6,11-14H,8,10H2,1-4H3/b6-5+/t11-,12-,13-/m1/s1.
What are the key properties of (E,2R,3R)-2-[(2S)-oxiran-2-yl]-8-trimethylsilyloct-5-en-7-yn-3-ol?
(E,2R,3R)-2-[(2S)-oxiran-2-yl]-8-trimethylsilyloct-5-en-7-yn-3-ol has a molecular weight of 238.40 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2R,3R)-2-[(2S)-oxiran-2-yl]-8-trimethylsilyloct-5-en-7-yn-3-ol is sourced from PubChem (CID 11253416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).