4-[3-[tert-butyl(dimethyl)silyl]prop-2-ynoxy]-4,5-dimethyl-1,3-dioxolan-2-one

C14H24O4Si — CID 155607202

IUPAC4-[3-[tert-butyl(dimethyl)silyl]prop-2-ynoxy]-4,5-dimethyl-1,3-dioxolan-2-one
SMILESCC1OC(=O)OC1(C)OCC#C[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H24O4Si/c1-11-14(5,18-12(15)17-11)16-9-8-10-19(6,7)13(2,3)4/h11H,9H2,1-7H3
InChIKeyGZQYTLCRACZXRU-UHFFFAOYSA-N
MW284.43 g/mol
LogP3.33
Rot. Bonds2

About 4-[3-[tert-butyl(dimethyl)silyl]prop-2-ynoxy]-4,5-dimethyl-1,3-dioxolan-2-one

4-[3-[tert-butyl(dimethyl)silyl]prop-2-ynoxy]-4,5-dimethyl-1,3-dioxolan-2-one (PubChem CID 155607202) 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]-4,5-dimethyl-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-[3-[tert-butyl(dimethyl)silyl]prop-2-ynoxy]-4,5-dimethyl-1,3-dioxolan-2-one
PubChem CID155607202
Molecular FormulaC14H24O4Si
Molecular Weight284.43 g/mol
Exact Mass284.14
IUPAC Name4-[3-[tert-butyl(dimethyl)silyl]prop-2-ynoxy]-4,5-dimethyl-1,3-dioxolan-2-one
SMILESCC1OC(=O)OC1(C)OCC#C[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H24O4Si/c1-11-14(5,18-12(15)17-11)16-9-8-10-19(6,7)13(2,3)4/h11H,9H2,1-7H3
InChIKeyGZQYTLCRACZXRU-UHFFFAOYSA-N
XLogP3.33
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
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]-4,5-dimethyl-1,3-dioxolan-2-one?
The IUPAC name of 4-[3-[tert-butyl(dimethyl)silyl]prop-2-ynoxy]-4,5-dimethyl-1,3-dioxolan-2-one (CID 155607202) is 4-[3-[tert-butyl(dimethyl)silyl]prop-2-ynoxy]-4,5-dimethyl-1,3-dioxolan-2-one.
What is the SMILES notation for 4-[3-[tert-butyl(dimethyl)silyl]prop-2-ynoxy]-4,5-dimethyl-1,3-dioxolan-2-one?
The canonical SMILES for 4-[3-[tert-butyl(dimethyl)silyl]prop-2-ynoxy]-4,5-dimethyl-1,3-dioxolan-2-one is CC1OC(=O)OC1(C)OCC#C[Si](C)(C)C(C)(C)C.
What is the InChIKey of 4-[3-[tert-butyl(dimethyl)silyl]prop-2-ynoxy]-4,5-dimethyl-1,3-dioxolan-2-one?
The InChIKey is GZQYTLCRACZXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O4Si/c1-11-14(5,18-12(15)17-11)16-9-8-10-19(6,7)13(2,3)4/h11H,9H2,1-7H3.
What are the key properties of 4-[3-[tert-butyl(dimethyl)silyl]prop-2-ynoxy]-4,5-dimethyl-1,3-dioxolan-2-one?
4-[3-[tert-butyl(dimethyl)silyl]prop-2-ynoxy]-4,5-dimethyl-1,3-dioxolan-2-one has a molecular weight of 284.43 g/mol, XLogP of 3.33, 2 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]-4,5-dimethyl-1,3-dioxolan-2-one is sourced from PubChem (CID 155607202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).