4-[3-[tert-butyl(dimethyl)silyl]prop-2-ynoxy]-4-ethyl-1,3-dioxolan-2-one

C14H24O4Si — CID 155607211

IUPAC4-[3-[tert-butyl(dimethyl)silyl]prop-2-ynoxy]-4-ethyl-1,3-dioxolan-2-one
SMILESCCC1(OCC#C[Si](C)(C)C(C)(C)C)COC(=O)O1
InChIInChI=1S/C14H24O4Si/c1-7-14(11-16-12(15)18-14)17-9-8-10-19(5,6)13(2,3)4/h7,9,11H2,1-6H3
InChIKeyVBJCUTHOMTUZCA-UHFFFAOYSA-N
MW284.43 g/mol
LogP3.33
Rot. Bonds3

About 4-[3-[tert-butyl(dimethyl)silyl]prop-2-ynoxy]-4-ethyl-1,3-dioxolan-2-one

4-[3-[tert-butyl(dimethyl)silyl]prop-2-ynoxy]-4-ethyl-1,3-dioxolan-2-one (PubChem CID 155607211) has the molecular formula C14H24O4Si and a molecular weight of 284.43 g/mol. Its IUPAC name is 4-[3-[tert-butyl(dimethyl)silyl]prop-2-ynoxy]-4-ethyl-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-[3-[tert-butyl(dimethyl)silyl]prop-2-ynoxy]-4-ethyl-1,3-dioxolan-2-one
PubChem CID155607211
Molecular FormulaC14H24O4Si
Molecular Weight284.43 g/mol
Exact Mass284.14
IUPAC Name4-[3-[tert-butyl(dimethyl)silyl]prop-2-ynoxy]-4-ethyl-1,3-dioxolan-2-one
SMILESCCC1(OCC#C[Si](C)(C)C(C)(C)C)COC(=O)O1
InChIInChI=1S/C14H24O4Si/c1-7-14(11-16-12(15)18-14)17-9-8-10-19(5,6)13(2,3)4/h7,9,11H2,1-6H3
InChIKeyVBJCUTHOMTUZCA-UHFFFAOYSA-N
XLogP3.33
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[tert-butyl(dimethyl)silyl]prop-2-ynoxy]-4-ethyl-1,3-dioxolan-2-one?
The IUPAC name of 4-[3-[tert-butyl(dimethyl)silyl]prop-2-ynoxy]-4-ethyl-1,3-dioxolan-2-one (CID 155607211) is 4-[3-[tert-butyl(dimethyl)silyl]prop-2-ynoxy]-4-ethyl-1,3-dioxolan-2-one.
What is the SMILES notation for 4-[3-[tert-butyl(dimethyl)silyl]prop-2-ynoxy]-4-ethyl-1,3-dioxolan-2-one?
The canonical SMILES for 4-[3-[tert-butyl(dimethyl)silyl]prop-2-ynoxy]-4-ethyl-1,3-dioxolan-2-one is CCC1(OCC#C[Si](C)(C)C(C)(C)C)COC(=O)O1.
What is the InChIKey of 4-[3-[tert-butyl(dimethyl)silyl]prop-2-ynoxy]-4-ethyl-1,3-dioxolan-2-one?
The InChIKey is VBJCUTHOMTUZCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O4Si/c1-7-14(11-16-12(15)18-14)17-9-8-10-19(5,6)13(2,3)4/h7,9,11H2,1-6H3.
What are the key properties of 4-[3-[tert-butyl(dimethyl)silyl]prop-2-ynoxy]-4-ethyl-1,3-dioxolan-2-one?
4-[3-[tert-butyl(dimethyl)silyl]prop-2-ynoxy]-4-ethyl-1,3-dioxolan-2-one has a molecular weight of 284.43 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[tert-butyl(dimethyl)silyl]prop-2-ynoxy]-4-ethyl-1,3-dioxolan-2-one is sourced from PubChem (CID 155607211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).