2-[[(3R,5S)-5-ethenyl-2-methoxyoxolan-3-yl]oxymethoxy]ethyl-trimethylsilane

C13H26O4Si — CID 134880732

IUPAC2-[[(3R,5S)-5-ethenyl-2-methoxyoxolan-3-yl]oxymethoxy]ethyl-trimethylsilane
SMILESC=C[C@@H]1C[C@@H](OCOCC[Si](C)(C)C)C(OC)O1
InChIInChI=1S/C13H26O4Si/c1-6-11-9-12(13(14-2)17-11)16-10-15-7-8-18(3,4)5/h6,11-13H,1,7-10H2,2-5H3/t11-,12-,13?/m1/s1
InChIKeyOXBCFGZDKDRTKT-ZNRZSNADSA-N
MW274.43 g/mol
LogP2.63
Rot. Bonds8

About 2-[[(3R,5S)-5-ethenyl-2-methoxyoxolan-3-yl]oxymethoxy]ethyl-trimethylsilane

2-[[(3R,5S)-5-ethenyl-2-methoxyoxolan-3-yl]oxymethoxy]ethyl-trimethylsilane (PubChem CID 134880732) has the molecular formula C13H26O4Si and a molecular weight of 274.43 g/mol. Its IUPAC name is 2-[[(3R,5S)-5-ethenyl-2-methoxyoxolan-3-yl]oxymethoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[(3R,5S)-5-ethenyl-2-methoxyoxolan-3-yl]oxymethoxy]ethyl-trimethylsilane
PubChem CID134880732
Molecular FormulaC13H26O4Si
Molecular Weight274.43 g/mol
Exact Mass274.16
IUPAC Name2-[[(3R,5S)-5-ethenyl-2-methoxyoxolan-3-yl]oxymethoxy]ethyl-trimethylsilane
SMILESC=C[C@@H]1C[C@@H](OCOCC[Si](C)(C)C)C(OC)O1
InChIInChI=1S/C13H26O4Si/c1-6-11-9-12(13(14-2)17-11)16-10-15-7-8-18(3,4)5/h6,11-13H,1,7-10H2,2-5H3/t11-,12-,13?/m1/s1
InChIKeyOXBCFGZDKDRTKT-ZNRZSNADSA-N
XLogP2.63
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 52.63
H-Bond Donors ≤ 50
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[(3R,5S)-5-ethenyl-2-methoxyoxolan-3-yl]oxymethoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[(3R,5S)-5-ethenyl-2-methoxyoxolan-3-yl]oxymethoxy]ethyl-trimethylsilane (CID 134880732) is 2-[[(3R,5S)-5-ethenyl-2-methoxyoxolan-3-yl]oxymethoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[(3R,5S)-5-ethenyl-2-methoxyoxolan-3-yl]oxymethoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[(3R,5S)-5-ethenyl-2-methoxyoxolan-3-yl]oxymethoxy]ethyl-trimethylsilane is C=C[C@@H]1C[C@@H](OCOCC[Si](C)(C)C)C(OC)O1.
What is the InChIKey of 2-[[(3R,5S)-5-ethenyl-2-methoxyoxolan-3-yl]oxymethoxy]ethyl-trimethylsilane?
The InChIKey is OXBCFGZDKDRTKT-ZNRZSNADSA-N. The full InChI is InChI=1S/C13H26O4Si/c1-6-11-9-12(13(14-2)17-11)16-10-15-7-8-18(3,4)5/h6,11-13H,1,7-10H2,2-5H3/t11-,12-,13?/m1/s1.
What are the key properties of 2-[[(3R,5S)-5-ethenyl-2-methoxyoxolan-3-yl]oxymethoxy]ethyl-trimethylsilane?
2-[[(3R,5S)-5-ethenyl-2-methoxyoxolan-3-yl]oxymethoxy]ethyl-trimethylsilane has a molecular weight of 274.43 g/mol, XLogP of 2.63, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3R,5S)-5-ethenyl-2-methoxyoxolan-3-yl]oxymethoxy]ethyl-trimethylsilane is sourced from PubChem (CID 134880732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).