triethyl-[[(2R,3R)-2-methyl-3-[(2R,3R)-3-triethylsilyloxyhexan-2-yl]oxiran-2-yl]methoxy]silane

C22H48O3Si2 — CID 11080238

IUPACtriethyl-[[(2R,3R)-2-methyl-3-[(2R,3R)-3-triethylsilyloxyhexan-2-yl]oxiran-2-yl]methoxy]silane
SMILESCCC[C@@H](O[Si](CC)(CC)CC)[C@H](C)[C@H]1O[C@]1(C)CO[Si](CC)(CC)CC
InChIInChI=1S/C22H48O3Si2/c1-10-17-20(25-27(14-5,15-6)16-7)19(8)21-22(9,24-21)18-23-26(11-2,12-3)13-4/h19-21H,10-18H2,1-9H3/t19-,20+,21+,22+/m0/s1
InChIKeyOEORVMYQISOKGQ-DXBBTUNJSA-N
MW416.80 g/mol
LogP6.99
Rot. Bonds15

About triethyl-[[(2R,3R)-2-methyl-3-[(2R,3R)-3-triethylsilyloxyhexan-2-yl]oxiran-2-yl]methoxy]silane

triethyl-[[(2R,3R)-2-methyl-3-[(2R,3R)-3-triethylsilyloxyhexan-2-yl]oxiran-2-yl]methoxy]silane (PubChem CID 11080238) has the molecular formula C22H48O3Si2 and a molecular weight of 416.80 g/mol. Its IUPAC name is triethyl-[[(2R,3R)-2-methyl-3-[(2R,3R)-3-triethylsilyloxyhexan-2-yl]oxiran-2-yl]methoxy]silane.

Molecular Properties

Compound Nametriethyl-[[(2R,3R)-2-methyl-3-[(2R,3R)-3-triethylsilyloxyhexan-2-yl]oxiran-2-yl]methoxy]silane
PubChem CID11080238
Molecular FormulaC22H48O3Si2
Molecular Weight416.80 g/mol
Exact Mass416.31
IUPAC Nametriethyl-[[(2R,3R)-2-methyl-3-[(2R,3R)-3-triethylsilyloxyhexan-2-yl]oxiran-2-yl]methoxy]silane
SMILESCCC[C@@H](O[Si](CC)(CC)CC)[C@H](C)[C@H]1O[C@]1(C)CO[Si](CC)(CC)CC
InChIInChI=1S/C22H48O3Si2/c1-10-17-20(25-27(14-5,15-6)16-7)19(8)21-22(9,24-21)18-23-26(11-2,12-3)13-4/h19-21H,10-18H2,1-9H3/t19-,20+,21+,22+/m0/s1
InChIKeyOEORVMYQISOKGQ-DXBBTUNJSA-N
XLogP6.99
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.80
LogP ≤ 56.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', '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-[[(2R,3R)-2-methyl-3-[(2R,3R)-3-triethylsilyloxyhexan-2-yl]oxiran-2-yl]methoxy]silane?
The IUPAC name of triethyl-[[(2R,3R)-2-methyl-3-[(2R,3R)-3-triethylsilyloxyhexan-2-yl]oxiran-2-yl]methoxy]silane (CID 11080238) is triethyl-[[(2R,3R)-2-methyl-3-[(2R,3R)-3-triethylsilyloxyhexan-2-yl]oxiran-2-yl]methoxy]silane.
What is the SMILES notation for triethyl-[[(2R,3R)-2-methyl-3-[(2R,3R)-3-triethylsilyloxyhexan-2-yl]oxiran-2-yl]methoxy]silane?
The canonical SMILES for triethyl-[[(2R,3R)-2-methyl-3-[(2R,3R)-3-triethylsilyloxyhexan-2-yl]oxiran-2-yl]methoxy]silane is CCC[C@@H](O[Si](CC)(CC)CC)[C@H](C)[C@H]1O[C@]1(C)CO[Si](CC)(CC)CC.
What is the InChIKey of triethyl-[[(2R,3R)-2-methyl-3-[(2R,3R)-3-triethylsilyloxyhexan-2-yl]oxiran-2-yl]methoxy]silane?
The InChIKey is OEORVMYQISOKGQ-DXBBTUNJSA-N. The full InChI is InChI=1S/C22H48O3Si2/c1-10-17-20(25-27(14-5,15-6)16-7)19(8)21-22(9,24-21)18-23-26(11-2,12-3)13-4/h19-21H,10-18H2,1-9H3/t19-,20+,21+,22+/m0/s1.
What are the key properties of triethyl-[[(2R,3R)-2-methyl-3-[(2R,3R)-3-triethylsilyloxyhexan-2-yl]oxiran-2-yl]methoxy]silane?
triethyl-[[(2R,3R)-2-methyl-3-[(2R,3R)-3-triethylsilyloxyhexan-2-yl]oxiran-2-yl]methoxy]silane has a molecular weight of 416.80 g/mol, XLogP of 6.99, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[[(2R,3R)-2-methyl-3-[(2R,3R)-3-triethylsilyloxyhexan-2-yl]oxiran-2-yl]methoxy]silane is sourced from PubChem (CID 11080238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).