triethyl-[(1R,2R)-1-[(2R)-2-(2-methylprop-2-enyl)oxiran-2-yl]-2-triethylsilyloxybut-3-enoxy]silane

C22H44O3Si2 — CID 88955401

IUPACtriethyl-[(1R,2R)-1-[(2R)-2-(2-methylprop-2-enyl)oxiran-2-yl]-2-triethylsilyloxybut-3-enoxy]silane
SMILESC=C[C@@H](O[Si](CC)(CC)CC)[C@@H](O[Si](CC)(CC)CC)[C@@]1(CC(=C)C)CO1
InChIInChI=1S/C22H44O3Si2/c1-10-20(24-26(11-2,12-3)13-4)21(22(18-23-22)17-19(8)9)25-27(14-5,15-6)16-7/h10,20-21H,1,8,11-18H2,2-7,9H3/t20-,21-,22-/m1/s1
InChIKeyDAIRCANRRMOKSS-YPAWHYETSA-N
MW412.76 g/mol
LogP6.69
Rot. Bonds15

About triethyl-[(1R,2R)-1-[(2R)-2-(2-methylprop-2-enyl)oxiran-2-yl]-2-triethylsilyloxybut-3-enoxy]silane

triethyl-[(1R,2R)-1-[(2R)-2-(2-methylprop-2-enyl)oxiran-2-yl]-2-triethylsilyloxybut-3-enoxy]silane (PubChem CID 88955401) has the molecular formula C22H44O3Si2 and a molecular weight of 412.76 g/mol. Its IUPAC name is triethyl-[(1R,2R)-1-[(2R)-2-(2-methylprop-2-enyl)oxiran-2-yl]-2-triethylsilyloxybut-3-enoxy]silane.

Molecular Properties

Compound Nametriethyl-[(1R,2R)-1-[(2R)-2-(2-methylprop-2-enyl)oxiran-2-yl]-2-triethylsilyloxybut-3-enoxy]silane
PubChem CID88955401
Molecular FormulaC22H44O3Si2
Molecular Weight412.76 g/mol
Exact Mass412.28
IUPAC Nametriethyl-[(1R,2R)-1-[(2R)-2-(2-methylprop-2-enyl)oxiran-2-yl]-2-triethylsilyloxybut-3-enoxy]silane
SMILESC=C[C@@H](O[Si](CC)(CC)CC)[C@@H](O[Si](CC)(CC)CC)[C@@]1(CC(=C)C)CO1
InChIInChI=1S/C22H44O3Si2/c1-10-20(24-26(11-2,12-3)13-4)21(22(18-23-22)17-19(8)9)25-27(14-5,15-6)16-7/h10,20-21H,1,8,11-18H2,2-7,9H3/t20-,21-,22-/m1/s1
InChIKeyDAIRCANRRMOKSS-YPAWHYETSA-N
XLogP6.69
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.76
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', '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 triethyl-[(1R,2R)-1-[(2R)-2-(2-methylprop-2-enyl)oxiran-2-yl]-2-triethylsilyloxybut-3-enoxy]silane?
The IUPAC name of triethyl-[(1R,2R)-1-[(2R)-2-(2-methylprop-2-enyl)oxiran-2-yl]-2-triethylsilyloxybut-3-enoxy]silane (CID 88955401) is triethyl-[(1R,2R)-1-[(2R)-2-(2-methylprop-2-enyl)oxiran-2-yl]-2-triethylsilyloxybut-3-enoxy]silane.
What is the SMILES notation for triethyl-[(1R,2R)-1-[(2R)-2-(2-methylprop-2-enyl)oxiran-2-yl]-2-triethylsilyloxybut-3-enoxy]silane?
The canonical SMILES for triethyl-[(1R,2R)-1-[(2R)-2-(2-methylprop-2-enyl)oxiran-2-yl]-2-triethylsilyloxybut-3-enoxy]silane is C=C[C@@H](O[Si](CC)(CC)CC)[C@@H](O[Si](CC)(CC)CC)[C@@]1(CC(=C)C)CO1.
What is the InChIKey of triethyl-[(1R,2R)-1-[(2R)-2-(2-methylprop-2-enyl)oxiran-2-yl]-2-triethylsilyloxybut-3-enoxy]silane?
The InChIKey is DAIRCANRRMOKSS-YPAWHYETSA-N. The full InChI is InChI=1S/C22H44O3Si2/c1-10-20(24-26(11-2,12-3)13-4)21(22(18-23-22)17-19(8)9)25-27(14-5,15-6)16-7/h10,20-21H,1,8,11-18H2,2-7,9H3/t20-,21-,22-/m1/s1.
What are the key properties of triethyl-[(1R,2R)-1-[(2R)-2-(2-methylprop-2-enyl)oxiran-2-yl]-2-triethylsilyloxybut-3-enoxy]silane?
triethyl-[(1R,2R)-1-[(2R)-2-(2-methylprop-2-enyl)oxiran-2-yl]-2-triethylsilyloxybut-3-enoxy]silane has a molecular weight of 412.76 g/mol, XLogP of 6.69, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[(1R,2R)-1-[(2R)-2-(2-methylprop-2-enyl)oxiran-2-yl]-2-triethylsilyloxybut-3-enoxy]silane is sourced from PubChem (CID 88955401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).