triethyl-[(1R,2E)-5-methyl-1-[(2R,5R)-5-(2-triethylsilyloxyethyl)oxolan-2-yl]hexa-2,4-dienoxy]silane

C25H50O3Si2 — CID 11178541

IUPACtriethyl-[(1R,2E)-5-methyl-1-[(2R,5R)-5-(2-triethylsilyloxyethyl)oxolan-2-yl]hexa-2,4-dienoxy]silane
SMILESCC[Si](CC)(CC)OCC[C@H]1CC[C@H]([C@@H](/C=C/C=C(C)C)O[Si](CC)(CC)CC)O1
InChIInChI=1S/C25H50O3Si2/c1-9-29(10-2,11-3)26-21-20-23-18-19-24(27-23)25(17-15-16-22(7)8)28-30(12-4,13-5)14-6/h15-17,23-25H,9-14,18-21H2,1-8H3/b17-15+/t23-,24-,25-/m1/s1
InChIKeyJUYWOJSTHHUZLO-XACHLHQKSA-N
MW454.84 g/mol
LogP7.86
Rot. Bonds15

About triethyl-[(1R,2E)-5-methyl-1-[(2R,5R)-5-(2-triethylsilyloxyethyl)oxolan-2-yl]hexa-2,4-dienoxy]silane

triethyl-[(1R,2E)-5-methyl-1-[(2R,5R)-5-(2-triethylsilyloxyethyl)oxolan-2-yl]hexa-2,4-dienoxy]silane (PubChem CID 11178541) has the molecular formula C25H50O3Si2 and a molecular weight of 454.84 g/mol. Its IUPAC name is triethyl-[(1R,2E)-5-methyl-1-[(2R,5R)-5-(2-triethylsilyloxyethyl)oxolan-2-yl]hexa-2,4-dienoxy]silane.

Molecular Properties

Compound Nametriethyl-[(1R,2E)-5-methyl-1-[(2R,5R)-5-(2-triethylsilyloxyethyl)oxolan-2-yl]hexa-2,4-dienoxy]silane
PubChem CID11178541
Molecular FormulaC25H50O3Si2
Molecular Weight454.84 g/mol
Exact Mass454.33
IUPAC Nametriethyl-[(1R,2E)-5-methyl-1-[(2R,5R)-5-(2-triethylsilyloxyethyl)oxolan-2-yl]hexa-2,4-dienoxy]silane
SMILESCC[Si](CC)(CC)OCC[C@H]1CC[C@H]([C@@H](/C=C/C=C(C)C)O[Si](CC)(CC)CC)O1
InChIInChI=1S/C25H50O3Si2/c1-9-29(10-2,11-3)26-21-20-23-18-19-24(27-23)25(17-15-16-22(7)8)28-30(12-4,13-5)14-6/h15-17,23-25H,9-14,18-21H2,1-8H3/b17-15+/t23-,24-,25-/m1/s1
InChIKeyJUYWOJSTHHUZLO-XACHLHQKSA-N
XLogP7.86
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.84
LogP ≤ 57.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

[(2R,3S,4R,5Z)-2-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-prop-2-enylideneoxolan-3-yl]oxy-tert-butyl-dimethylsilane
CID 10952445
tert-butyl-[(2E)-2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-trimethylsilyloxycyclopenten-1-yl]penta-2,4-dienoxy]-dimethylsilane
CID 11038372
Tert-butyl-[1-[1-[tert-butyl(dimethyl)silyl]oxyhexyl]hepta-2,4-dienoxy]-dimethylsilane
CID 88303532
tert-butyl-[[3-[tert-butyl(dimethyl)silyl]oxy-5-[(3Z,5E)-6-iodocycloocta-1,3,5,7-tetraen-1-yl]oxolan-2-yl]methoxy]-dimethylsilane
CID 173884370
3-[(1E,3Z)-6-[4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]cycloocta-1,3,5,7-tetraen-1-yl]prop-2-yn-1-ol
CID 173884372
tert-butyl-[[(1S,3Z,7R,8S,9S)-9-[tert-butyl(dimethyl)silyl]oxy-10-oxabicyclo[5.2.1]dec-3-en-8-yl]oxy]-dimethylsilane
CID 10982230
tert-butyl-[[(1R,3Z,8S,9R,10R)-10-[tert-butyl(dimethyl)silyl]oxy-11-oxabicyclo[6.2.1]undec-3-en-9-yl]oxy]-dimethylsilane
CID 11133412
1-[(2R,5R)-5-[(1R,2E)-5-methyl-1-triethylsilyloxyhexa-2,4-dienyl]oxolan-2-yl]propan-2-ol
CID 11337192
(Z)-7-[(2S,3S,5S)-5-[(E,1R,4R)-1,4-bis[[tert-butyl(dimethyl)silyl]oxy]non-2-enyl]-3-[tert-butyl(dimethyl)silyl]oxyoxolan-2-yl]hept-5-en-1-ol
CID 11549350
(Z)-7-[(2S,3S,5S)-5-[(E,1R,4S)-1,4-bis[[tert-butyl(dimethyl)silyl]oxy]non-2-enyl]-3-[tert-butyl(dimethyl)silyl]oxyoxolan-2-yl]hept-5-en-1-ol
CID 11686251
tert-butyl-[[(1R,3Z,7S,8R,9R)-9-[tert-butyl(dimethyl)silyl]oxy-10-oxabicyclo[5.2.1]dec-3-en-8-yl]oxy]-dimethylsilane
CID 11732085
(1R,2E,4E,6S)-6-[tert-butyl(dimethyl)silyl]oxy-1-[(2R,5R)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxolan-2-yl]-5-methyl-7-methylideneundeca-2,4-dien-1-ol
CID 51051385

Frequently Asked Questions

What is the IUPAC name of triethyl-[(1R,2E)-5-methyl-1-[(2R,5R)-5-(2-triethylsilyloxyethyl)oxolan-2-yl]hexa-2,4-dienoxy]silane?
The IUPAC name of triethyl-[(1R,2E)-5-methyl-1-[(2R,5R)-5-(2-triethylsilyloxyethyl)oxolan-2-yl]hexa-2,4-dienoxy]silane (CID 11178541) is triethyl-[(1R,2E)-5-methyl-1-[(2R,5R)-5-(2-triethylsilyloxyethyl)oxolan-2-yl]hexa-2,4-dienoxy]silane.
What is the SMILES notation for triethyl-[(1R,2E)-5-methyl-1-[(2R,5R)-5-(2-triethylsilyloxyethyl)oxolan-2-yl]hexa-2,4-dienoxy]silane?
The canonical SMILES for triethyl-[(1R,2E)-5-methyl-1-[(2R,5R)-5-(2-triethylsilyloxyethyl)oxolan-2-yl]hexa-2,4-dienoxy]silane is CC[Si](CC)(CC)OCC[C@H]1CC[C@H]([C@@H](/C=C/C=C(C)C)O[Si](CC)(CC)CC)O1.
What is the InChIKey of triethyl-[(1R,2E)-5-methyl-1-[(2R,5R)-5-(2-triethylsilyloxyethyl)oxolan-2-yl]hexa-2,4-dienoxy]silane?
The InChIKey is JUYWOJSTHHUZLO-XACHLHQKSA-N. The full InChI is InChI=1S/C25H50O3Si2/c1-9-29(10-2,11-3)26-21-20-23-18-19-24(27-23)25(17-15-16-22(7)8)28-30(12-4,13-5)14-6/h15-17,23-25H,9-14,18-21H2,1-8H3/b17-15+/t23-,24-,25-/m1/s1.
What are the key properties of triethyl-[(1R,2E)-5-methyl-1-[(2R,5R)-5-(2-triethylsilyloxyethyl)oxolan-2-yl]hexa-2,4-dienoxy]silane?
triethyl-[(1R,2E)-5-methyl-1-[(2R,5R)-5-(2-triethylsilyloxyethyl)oxolan-2-yl]hexa-2,4-dienoxy]silane has a molecular weight of 454.84 g/mol, XLogP of 7.86, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[(1R,2E)-5-methyl-1-[(2R,5R)-5-(2-triethylsilyloxyethyl)oxolan-2-yl]hexa-2,4-dienoxy]silane is sourced from PubChem (CID 11178541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).