tert-butyl-[2-(2-ethenyl-4,6,6-trimethyl-2,3-dihydropyran-5-yl)ethoxy]-dimethylsilane

C18H34O2Si — CID 554486

IUPACtert-butyl-[2-(2-ethenyl-4,6,6-trimethyl-2,3-dihydropyran-5-yl)ethoxy]-dimethylsilane
SMILESC=CC1CC(C)=C(CCO[Si](C)(C)C(C)(C)C)C(C)(C)O1
InChIInChI=1S/C18H34O2Si/c1-10-15-13-14(2)16(18(6,7)20-15)11-12-19-21(8,9)17(3,4)5/h10,15H,1,11-13H2,2-9H3
InChIKeyOXKFKSHZYIYBHT-UHFFFAOYSA-N
MW310.55 g/mol
LogP5.47
Rot. Bonds5

About tert-butyl-[2-(2-ethenyl-4,6,6-trimethyl-2,3-dihydropyran-5-yl)ethoxy]-dimethylsilane

tert-butyl-[2-(2-ethenyl-4,6,6-trimethyl-2,3-dihydropyran-5-yl)ethoxy]-dimethylsilane (PubChem CID 554486) has the molecular formula C18H34O2Si and a molecular weight of 310.55 g/mol. Its IUPAC name is tert-butyl-[2-(2-ethenyl-4,6,6-trimethyl-2,3-dihydropyran-5-yl)ethoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[2-(2-ethenyl-4,6,6-trimethyl-2,3-dihydropyran-5-yl)ethoxy]-dimethylsilane
PubChem CID554486
Molecular FormulaC18H34O2Si
Molecular Weight310.55 g/mol
Exact Mass310.23
IUPAC Nametert-butyl-[2-(2-ethenyl-4,6,6-trimethyl-2,3-dihydropyran-5-yl)ethoxy]-dimethylsilane
SMILESC=CC1CC(C)=C(CCO[Si](C)(C)C(C)(C)C)C(C)(C)O1
InChIInChI=1S/C18H34O2Si/c1-10-15-13-14(2)16(18(6,7)20-15)11-12-19-21(8,9)17(3,4)5/h10,15H,1,11-13H2,2-9H3
InChIKeyOXKFKSHZYIYBHT-UHFFFAOYSA-N
XLogP5.47
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.55
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', '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-[2-(2-ethenyl-4,6,6-trimethyl-2,3-dihydropyran-5-yl)ethoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[2-(2-ethenyl-4,6,6-trimethyl-2,3-dihydropyran-5-yl)ethoxy]-dimethylsilane (CID 554486) is tert-butyl-[2-(2-ethenyl-4,6,6-trimethyl-2,3-dihydropyran-5-yl)ethoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[2-(2-ethenyl-4,6,6-trimethyl-2,3-dihydropyran-5-yl)ethoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[2-(2-ethenyl-4,6,6-trimethyl-2,3-dihydropyran-5-yl)ethoxy]-dimethylsilane is C=CC1CC(C)=C(CCO[Si](C)(C)C(C)(C)C)C(C)(C)O1.
What is the InChIKey of tert-butyl-[2-(2-ethenyl-4,6,6-trimethyl-2,3-dihydropyran-5-yl)ethoxy]-dimethylsilane?
The InChIKey is OXKFKSHZYIYBHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O2Si/c1-10-15-13-14(2)16(18(6,7)20-15)11-12-19-21(8,9)17(3,4)5/h10,15H,1,11-13H2,2-9H3.
What are the key properties of tert-butyl-[2-(2-ethenyl-4,6,6-trimethyl-2,3-dihydropyran-5-yl)ethoxy]-dimethylsilane?
tert-butyl-[2-(2-ethenyl-4,6,6-trimethyl-2,3-dihydropyran-5-yl)ethoxy]-dimethylsilane has a molecular weight of 310.55 g/mol, XLogP of 5.47, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-(2-ethenyl-4,6,6-trimethyl-2,3-dihydropyran-5-yl)ethoxy]-dimethylsilane is sourced from PubChem (CID 554486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).