tert-butyl-[[(4S,6Z)-2-ethenyl-5,8-dihydro-4H-1,3-dioxocin-4-yl]oxy]-dimethylsilane

C14H26O3Si — CID 101183343

IUPACtert-butyl-[[(4S,6Z)-2-ethenyl-5,8-dihydro-4H-1,3-dioxocin-4-yl]oxy]-dimethylsilane
SMILESC=CC1OC/C=C\C[C@H](O[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C14H26O3Si/c1-7-12-15-11-9-8-10-13(16-12)17-18(5,6)14(2,3)4/h7-9,12-13H,1,10-11H2,2-6H3/b9-8-/t12?,13-/m0/s1
InChIKeySDFMEYUXQVNRSW-COUHGGSKSA-N
MW270.44 g/mol
LogP3.84
Rot. Bonds3

About tert-butyl-[[(4S,6Z)-2-ethenyl-5,8-dihydro-4H-1,3-dioxocin-4-yl]oxy]-dimethylsilane

tert-butyl-[[(4S,6Z)-2-ethenyl-5,8-dihydro-4H-1,3-dioxocin-4-yl]oxy]-dimethylsilane (PubChem CID 101183343) has the molecular formula C14H26O3Si and a molecular weight of 270.44 g/mol. Its IUPAC name is tert-butyl-[[(4S,6Z)-2-ethenyl-5,8-dihydro-4H-1,3-dioxocin-4-yl]oxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(4S,6Z)-2-ethenyl-5,8-dihydro-4H-1,3-dioxocin-4-yl]oxy]-dimethylsilane
PubChem CID101183343
Molecular FormulaC14H26O3Si
Molecular Weight270.44 g/mol
Exact Mass270.17
IUPAC Nametert-butyl-[[(4S,6Z)-2-ethenyl-5,8-dihydro-4H-1,3-dioxocin-4-yl]oxy]-dimethylsilane
SMILESC=CC1OC/C=C\C[C@H](O[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C14H26O3Si/c1-7-12-15-11-9-8-10-13(16-12)17-18(5,6)14(2,3)4/h7-9,12-13H,1,10-11H2,2-6H3/b9-8-/t12?,13-/m0/s1
InChIKeySDFMEYUXQVNRSW-COUHGGSKSA-N
XLogP3.84
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 53.84
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'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(4S,6Z)-2-ethenyl-5,8-dihydro-4H-1,3-dioxocin-4-yl]oxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[(4S,6Z)-2-ethenyl-5,8-dihydro-4H-1,3-dioxocin-4-yl]oxy]-dimethylsilane (CID 101183343) is tert-butyl-[[(4S,6Z)-2-ethenyl-5,8-dihydro-4H-1,3-dioxocin-4-yl]oxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(4S,6Z)-2-ethenyl-5,8-dihydro-4H-1,3-dioxocin-4-yl]oxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(4S,6Z)-2-ethenyl-5,8-dihydro-4H-1,3-dioxocin-4-yl]oxy]-dimethylsilane is C=CC1OC/C=C\C[C@H](O[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of tert-butyl-[[(4S,6Z)-2-ethenyl-5,8-dihydro-4H-1,3-dioxocin-4-yl]oxy]-dimethylsilane?
The InChIKey is SDFMEYUXQVNRSW-COUHGGSKSA-N. The full InChI is InChI=1S/C14H26O3Si/c1-7-12-15-11-9-8-10-13(16-12)17-18(5,6)14(2,3)4/h7-9,12-13H,1,10-11H2,2-6H3/b9-8-/t12?,13-/m0/s1.
What are the key properties of tert-butyl-[[(4S,6Z)-2-ethenyl-5,8-dihydro-4H-1,3-dioxocin-4-yl]oxy]-dimethylsilane?
tert-butyl-[[(4S,6Z)-2-ethenyl-5,8-dihydro-4H-1,3-dioxocin-4-yl]oxy]-dimethylsilane has a molecular weight of 270.44 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(4S,6Z)-2-ethenyl-5,8-dihydro-4H-1,3-dioxocin-4-yl]oxy]-dimethylsilane is sourced from PubChem (CID 101183343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).