(Z,2S)-5-[(2S)-oxiran-2-yl]-2-(2-trimethylsilylethoxymethoxy)pent-3-en-1-ol

C13H26O4Si — CID 10802310

IUPAC(Z,2S)-5-[(2S)-oxiran-2-yl]-2-(2-trimethylsilylethoxymethoxy)pent-3-en-1-ol
SMILESC[Si](C)(C)CCOCO[C@@H](/C=C\C[C@H]1CO1)CO
InChIInChI=1S/C13H26O4Si/c1-18(2,3)8-7-15-11-17-12(9-14)5-4-6-13-10-16-13/h4-5,12-14H,6-11H2,1-3H3/b5-4-/t12-,13-/m0/s1
InChIKeyMYPAIAXLKCZYIF-AIMRDXAKSA-N
MW274.43 g/mol
LogP2.02
Rot. Bonds10

About (Z,2S)-5-[(2S)-oxiran-2-yl]-2-(2-trimethylsilylethoxymethoxy)pent-3-en-1-ol

(Z,2S)-5-[(2S)-oxiran-2-yl]-2-(2-trimethylsilylethoxymethoxy)pent-3-en-1-ol (PubChem CID 10802310) has the molecular formula C13H26O4Si and a molecular weight of 274.43 g/mol. Its IUPAC name is (Z,2S)-5-[(2S)-oxiran-2-yl]-2-(2-trimethylsilylethoxymethoxy)pent-3-en-1-ol.

Molecular Properties

Compound Name(Z,2S)-5-[(2S)-oxiran-2-yl]-2-(2-trimethylsilylethoxymethoxy)pent-3-en-1-ol
PubChem CID10802310
Molecular FormulaC13H26O4Si
Molecular Weight274.43 g/mol
Exact Mass274.16
IUPAC Name(Z,2S)-5-[(2S)-oxiran-2-yl]-2-(2-trimethylsilylethoxymethoxy)pent-3-en-1-ol
SMILESC[Si](C)(C)CCOCO[C@@H](/C=C\C[C@H]1CO1)CO
InChIInChI=1S/C13H26O4Si/c1-18(2,3)8-7-15-11-17-12(9-14)5-4-6-13-10-16-13/h4-5,12-14H,6-11H2,1-3H3/b5-4-/t12-,13-/m0/s1
InChIKeyMYPAIAXLKCZYIF-AIMRDXAKSA-N
XLogP2.02
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z,2S)-5-[(2S)-oxiran-2-yl]-2-(2-trimethylsilylethoxymethoxy)pent-3-en-1-ol?
The IUPAC name of (Z,2S)-5-[(2S)-oxiran-2-yl]-2-(2-trimethylsilylethoxymethoxy)pent-3-en-1-ol (CID 10802310) is (Z,2S)-5-[(2S)-oxiran-2-yl]-2-(2-trimethylsilylethoxymethoxy)pent-3-en-1-ol.
What is the SMILES notation for (Z,2S)-5-[(2S)-oxiran-2-yl]-2-(2-trimethylsilylethoxymethoxy)pent-3-en-1-ol?
The canonical SMILES for (Z,2S)-5-[(2S)-oxiran-2-yl]-2-(2-trimethylsilylethoxymethoxy)pent-3-en-1-ol is C[Si](C)(C)CCOCO[C@@H](/C=C\C[C@H]1CO1)CO.
What is the InChIKey of (Z,2S)-5-[(2S)-oxiran-2-yl]-2-(2-trimethylsilylethoxymethoxy)pent-3-en-1-ol?
The InChIKey is MYPAIAXLKCZYIF-AIMRDXAKSA-N. The full InChI is InChI=1S/C13H26O4Si/c1-18(2,3)8-7-15-11-17-12(9-14)5-4-6-13-10-16-13/h4-5,12-14H,6-11H2,1-3H3/b5-4-/t12-,13-/m0/s1.
What are the key properties of (Z,2S)-5-[(2S)-oxiran-2-yl]-2-(2-trimethylsilylethoxymethoxy)pent-3-en-1-ol?
(Z,2S)-5-[(2S)-oxiran-2-yl]-2-(2-trimethylsilylethoxymethoxy)pent-3-en-1-ol has a molecular weight of 274.43 g/mol, XLogP of 2.02, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2S)-5-[(2S)-oxiran-2-yl]-2-(2-trimethylsilylethoxymethoxy)pent-3-en-1-ol is sourced from PubChem (CID 10802310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).