tert-butyl-[(4S)-4-(methoxymethoxy)-4-[(2S)-oxiran-2-yl]butoxy]-dimethylsilane

C14H30O4Si — CID 46850135

IUPACtert-butyl-[(4S)-4-(methoxymethoxy)-4-[(2S)-oxiran-2-yl]butoxy]-dimethylsilane
SMILESCOCO[C@@H](CCCO[Si](C)(C)C(C)(C)C)[C@@H]1CO1
InChIInChI=1S/C14H30O4Si/c1-14(2,3)19(5,6)18-9-7-8-12(13-10-16-13)17-11-15-4/h12-13H,7-11H2,1-6H3/t12-,13-/m0/s1
InChIKeyKUAFCYAYYYVHCX-STQMWFEESA-N
MW290.48 g/mol
LogP3.18
Rot. Bonds9

About tert-butyl-[(4S)-4-(methoxymethoxy)-4-[(2S)-oxiran-2-yl]butoxy]-dimethylsilane

tert-butyl-[(4S)-4-(methoxymethoxy)-4-[(2S)-oxiran-2-yl]butoxy]-dimethylsilane (PubChem CID 46850135) has the molecular formula C14H30O4Si and a molecular weight of 290.48 g/mol. Its IUPAC name is tert-butyl-[(4S)-4-(methoxymethoxy)-4-[(2S)-oxiran-2-yl]butoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(4S)-4-(methoxymethoxy)-4-[(2S)-oxiran-2-yl]butoxy]-dimethylsilane
PubChem CID46850135
Molecular FormulaC14H30O4Si
Molecular Weight290.48 g/mol
Exact Mass290.19
IUPAC Nametert-butyl-[(4S)-4-(methoxymethoxy)-4-[(2S)-oxiran-2-yl]butoxy]-dimethylsilane
SMILESCOCO[C@@H](CCCO[Si](C)(C)C(C)(C)C)[C@@H]1CO1
InChIInChI=1S/C14H30O4Si/c1-14(2,3)19(5,6)18-9-7-8-12(13-10-16-13)17-11-15-4/h12-13H,7-11H2,1-6H3/t12-,13-/m0/s1
InChIKeyKUAFCYAYYYVHCX-STQMWFEESA-N
XLogP3.18
TPSA40.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.48
LogP ≤ 53.18
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': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(4S)-4-(methoxymethoxy)-4-[(2S)-oxiran-2-yl]butoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(4S)-4-(methoxymethoxy)-4-[(2S)-oxiran-2-yl]butoxy]-dimethylsilane (CID 46850135) is tert-butyl-[(4S)-4-(methoxymethoxy)-4-[(2S)-oxiran-2-yl]butoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(4S)-4-(methoxymethoxy)-4-[(2S)-oxiran-2-yl]butoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(4S)-4-(methoxymethoxy)-4-[(2S)-oxiran-2-yl]butoxy]-dimethylsilane is COCO[C@@H](CCCO[Si](C)(C)C(C)(C)C)[C@@H]1CO1.
What is the InChIKey of tert-butyl-[(4S)-4-(methoxymethoxy)-4-[(2S)-oxiran-2-yl]butoxy]-dimethylsilane?
The InChIKey is KUAFCYAYYYVHCX-STQMWFEESA-N. The full InChI is InChI=1S/C14H30O4Si/c1-14(2,3)19(5,6)18-9-7-8-12(13-10-16-13)17-11-15-4/h12-13H,7-11H2,1-6H3/t12-,13-/m0/s1.
What are the key properties of tert-butyl-[(4S)-4-(methoxymethoxy)-4-[(2S)-oxiran-2-yl]butoxy]-dimethylsilane?
tert-butyl-[(4S)-4-(methoxymethoxy)-4-[(2S)-oxiran-2-yl]butoxy]-dimethylsilane has a molecular weight of 290.48 g/mol, XLogP of 3.18, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(4S)-4-(methoxymethoxy)-4-[(2S)-oxiran-2-yl]butoxy]-dimethylsilane is sourced from PubChem (CID 46850135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).