tert-butyl-[(2E,4R,5S)-5-(methoxymethoxy)-3,4-dimethylhepta-2,6-dienoxy]-dimethylsilane

C17H34O3Si — CID 102283267

IUPACtert-butyl-[(2E,4R,5S)-5-(methoxymethoxy)-3,4-dimethylhepta-2,6-dienoxy]-dimethylsilane
SMILESC=C[C@H](OCOC)[C@H](C)/C(C)=C/CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34O3Si/c1-10-16(19-13-18-7)15(3)14(2)11-12-20-21(8,9)17(4,5)6/h10-11,15-16H,1,12-13H2,2-9H3/b14-11+/t15-,16+/m1/s1
InChIKeyWKGHJHZAXHREOM-MEDRYPNSSA-N
MW314.54 g/mol
LogP4.77
Rot. Bonds9

About tert-butyl-[(2E,4R,5S)-5-(methoxymethoxy)-3,4-dimethylhepta-2,6-dienoxy]-dimethylsilane

tert-butyl-[(2E,4R,5S)-5-(methoxymethoxy)-3,4-dimethylhepta-2,6-dienoxy]-dimethylsilane (PubChem CID 102283267) has the molecular formula C17H34O3Si and a molecular weight of 314.54 g/mol. Its IUPAC name is tert-butyl-[(2E,4R,5S)-5-(methoxymethoxy)-3,4-dimethylhepta-2,6-dienoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2E,4R,5S)-5-(methoxymethoxy)-3,4-dimethylhepta-2,6-dienoxy]-dimethylsilane
PubChem CID102283267
Molecular FormulaC17H34O3Si
Molecular Weight314.54 g/mol
Exact Mass314.23
IUPAC Nametert-butyl-[(2E,4R,5S)-5-(methoxymethoxy)-3,4-dimethylhepta-2,6-dienoxy]-dimethylsilane
SMILESC=C[C@H](OCOC)[C@H](C)/C(C)=C/CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34O3Si/c1-10-16(19-13-18-7)15(3)14(2)11-12-20-21(8,9)17(4,5)6/h10-11,15-16H,1,12-13H2,2-9H3/b14-11+/t15-,16+/m1/s1
InChIKeyWKGHJHZAXHREOM-MEDRYPNSSA-N
XLogP4.77
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.54
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2E,4R,5S)-5-(methoxymethoxy)-3,4-dimethylhepta-2,6-dienoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(2E,4R,5S)-5-(methoxymethoxy)-3,4-dimethylhepta-2,6-dienoxy]-dimethylsilane (CID 102283267) is tert-butyl-[(2E,4R,5S)-5-(methoxymethoxy)-3,4-dimethylhepta-2,6-dienoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2E,4R,5S)-5-(methoxymethoxy)-3,4-dimethylhepta-2,6-dienoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(2E,4R,5S)-5-(methoxymethoxy)-3,4-dimethylhepta-2,6-dienoxy]-dimethylsilane is C=C[C@H](OCOC)[C@H](C)/C(C)=C/CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(2E,4R,5S)-5-(methoxymethoxy)-3,4-dimethylhepta-2,6-dienoxy]-dimethylsilane?
The InChIKey is WKGHJHZAXHREOM-MEDRYPNSSA-N. The full InChI is InChI=1S/C17H34O3Si/c1-10-16(19-13-18-7)15(3)14(2)11-12-20-21(8,9)17(4,5)6/h10-11,15-16H,1,12-13H2,2-9H3/b14-11+/t15-,16+/m1/s1.
What are the key properties of tert-butyl-[(2E,4R,5S)-5-(methoxymethoxy)-3,4-dimethylhepta-2,6-dienoxy]-dimethylsilane?
tert-butyl-[(2E,4R,5S)-5-(methoxymethoxy)-3,4-dimethylhepta-2,6-dienoxy]-dimethylsilane has a molecular weight of 314.54 g/mol, XLogP of 4.77, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2E,4R,5S)-5-(methoxymethoxy)-3,4-dimethylhepta-2,6-dienoxy]-dimethylsilane is sourced from PubChem (CID 102283267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).