[(E,3R)-3-[(2R,4S,6R)-4-(2,2-dimethoxyethyl)-6-methoxyoxan-2-yl]but-1-enyl]-trimethylsilane

C17H34O4Si — CID 10544442

IUPAC[(E,3R)-3-[(2R,4S,6R)-4-(2,2-dimethoxyethyl)-6-methoxyoxan-2-yl]but-1-enyl]-trimethylsilane
SMILESCOC(C[C@H]1C[C@H](OC)O[C@@H]([C@H](C)/C=C/[Si](C)(C)C)C1)OC
InChIInChI=1S/C17H34O4Si/c1-13(8-9-22(5,6)7)15-10-14(11-16(18-2)19-3)12-17(20-4)21-15/h8-9,13-17H,10-12H2,1-7H3/b9-8+/t13-,14+,15-,17-/m1/s1
InChIKeyCSUXBSXGLOOTCV-CRJCRGCFSA-N
MW330.54 g/mol
LogP3.83
Rot. Bonds8

About [(E,3R)-3-[(2R,4S,6R)-4-(2,2-dimethoxyethyl)-6-methoxyoxan-2-yl]but-1-enyl]-trimethylsilane

[(E,3R)-3-[(2R,4S,6R)-4-(2,2-dimethoxyethyl)-6-methoxyoxan-2-yl]but-1-enyl]-trimethylsilane (PubChem CID 10544442) has the molecular formula C17H34O4Si and a molecular weight of 330.54 g/mol. Its IUPAC name is [(E,3R)-3-[(2R,4S,6R)-4-(2,2-dimethoxyethyl)-6-methoxyoxan-2-yl]but-1-enyl]-trimethylsilane.

Molecular Properties

Compound Name[(E,3R)-3-[(2R,4S,6R)-4-(2,2-dimethoxyethyl)-6-methoxyoxan-2-yl]but-1-enyl]-trimethylsilane
PubChem CID10544442
Molecular FormulaC17H34O4Si
Molecular Weight330.54 g/mol
Exact Mass330.22
IUPAC Name[(E,3R)-3-[(2R,4S,6R)-4-(2,2-dimethoxyethyl)-6-methoxyoxan-2-yl]but-1-enyl]-trimethylsilane
SMILESCOC(C[C@H]1C[C@H](OC)O[C@@H]([C@H](C)/C=C/[Si](C)(C)C)C1)OC
InChIInChI=1S/C17H34O4Si/c1-13(8-9-22(5,6)7)15-10-14(11-16(18-2)19-3)12-17(20-4)21-15/h8-9,13-17H,10-12H2,1-7H3/b9-8+/t13-,14+,15-,17-/m1/s1
InChIKeyCSUXBSXGLOOTCV-CRJCRGCFSA-N
XLogP3.83
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.54
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(E,3R)-3-[(2R,4S,6R)-4-(2,2-dimethoxyethyl)-6-methoxyoxan-2-yl]but-1-enyl]-trimethylsilane?
The IUPAC name of [(E,3R)-3-[(2R,4S,6R)-4-(2,2-dimethoxyethyl)-6-methoxyoxan-2-yl]but-1-enyl]-trimethylsilane (CID 10544442) is [(E,3R)-3-[(2R,4S,6R)-4-(2,2-dimethoxyethyl)-6-methoxyoxan-2-yl]but-1-enyl]-trimethylsilane.
What is the SMILES notation for [(E,3R)-3-[(2R,4S,6R)-4-(2,2-dimethoxyethyl)-6-methoxyoxan-2-yl]but-1-enyl]-trimethylsilane?
The canonical SMILES for [(E,3R)-3-[(2R,4S,6R)-4-(2,2-dimethoxyethyl)-6-methoxyoxan-2-yl]but-1-enyl]-trimethylsilane is COC(C[C@H]1C[C@H](OC)O[C@@H]([C@H](C)/C=C/[Si](C)(C)C)C1)OC.
What is the InChIKey of [(E,3R)-3-[(2R,4S,6R)-4-(2,2-dimethoxyethyl)-6-methoxyoxan-2-yl]but-1-enyl]-trimethylsilane?
The InChIKey is CSUXBSXGLOOTCV-CRJCRGCFSA-N. The full InChI is InChI=1S/C17H34O4Si/c1-13(8-9-22(5,6)7)15-10-14(11-16(18-2)19-3)12-17(20-4)21-15/h8-9,13-17H,10-12H2,1-7H3/b9-8+/t13-,14+,15-,17-/m1/s1.
What are the key properties of [(E,3R)-3-[(2R,4S,6R)-4-(2,2-dimethoxyethyl)-6-methoxyoxan-2-yl]but-1-enyl]-trimethylsilane?
[(E,3R)-3-[(2R,4S,6R)-4-(2,2-dimethoxyethyl)-6-methoxyoxan-2-yl]but-1-enyl]-trimethylsilane has a molecular weight of 330.54 g/mol, XLogP of 3.83, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E,3R)-3-[(2R,4S,6R)-4-(2,2-dimethoxyethyl)-6-methoxyoxan-2-yl]but-1-enyl]-trimethylsilane is sourced from PubChem (CID 10544442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).