6-[4-[tert-butyl(dimethyl)silyl]-2-oxobut-3-ynyl]-2,2-dimethyl-1,3-dioxin-4-one

C16H24O4Si — CID 11472349

IUPAC6-[4-[tert-butyl(dimethyl)silyl]-2-oxobut-3-ynyl]-2,2-dimethyl-1,3-dioxin-4-one
SMILESCC1(C)OC(=O)C=C(CC(=O)C#C[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C16H24O4Si/c1-15(2,3)21(6,7)9-8-12(17)10-13-11-14(18)20-16(4,5)19-13/h11H,10H2,1-7H3
InChIKeyORKMBJMEQJSEID-UHFFFAOYSA-N
MW308.45 g/mol
LogP3.19
Rot. Bonds2

About 6-[4-[tert-butyl(dimethyl)silyl]-2-oxobut-3-ynyl]-2,2-dimethyl-1,3-dioxin-4-one

6-[4-[tert-butyl(dimethyl)silyl]-2-oxobut-3-ynyl]-2,2-dimethyl-1,3-dioxin-4-one (PubChem CID 11472349) has the molecular formula C16H24O4Si and a molecular weight of 308.45 g/mol. Its IUPAC name is 6-[4-[tert-butyl(dimethyl)silyl]-2-oxobut-3-ynyl]-2,2-dimethyl-1,3-dioxin-4-one.

Molecular Properties

Compound Name6-[4-[tert-butyl(dimethyl)silyl]-2-oxobut-3-ynyl]-2,2-dimethyl-1,3-dioxin-4-one
PubChem CID11472349
Molecular FormulaC16H24O4Si
Molecular Weight308.45 g/mol
Exact Mass308.14
IUPAC Name6-[4-[tert-butyl(dimethyl)silyl]-2-oxobut-3-ynyl]-2,2-dimethyl-1,3-dioxin-4-one
SMILESCC1(C)OC(=O)C=C(CC(=O)C#C[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C16H24O4Si/c1-15(2,3)21(6,7)9-8-12(17)10-13-11-14(18)20-16(4,5)19-13/h11H,10H2,1-7H3
InChIKeyORKMBJMEQJSEID-UHFFFAOYSA-N
XLogP3.19
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 53.19
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'}

Analyze 6-[4-[tert-butyl(dimethyl)silyl]-2-oxobut-3-ynyl]-2,2-dimethyl-1,3-dioxin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[4-[Tert-butyl(dimethyl)silyl]-2-prop-2-enoxybut-3-ynyl]-2,2-dimethyl-1,3-dioxin-4-one
CID 11024556
6-[(2S)-4-[tert-butyl(dimethyl)silyl]-2-prop-2-enoxybut-3-ynyl]-2,2-dimethyl-1,3-dioxin-4-one
CID 15317854
2,2-dimethyl-6-[(Z)-2-oxo-6-tri(propan-2-yl)silylhex-3-en-5-yn-3-yl]-1,3-dioxin-4-one
CID 101905705

Frequently Asked Questions

What is the IUPAC name of 6-[4-[tert-butyl(dimethyl)silyl]-2-oxobut-3-ynyl]-2,2-dimethyl-1,3-dioxin-4-one?
The IUPAC name of 6-[4-[tert-butyl(dimethyl)silyl]-2-oxobut-3-ynyl]-2,2-dimethyl-1,3-dioxin-4-one (CID 11472349) is 6-[4-[tert-butyl(dimethyl)silyl]-2-oxobut-3-ynyl]-2,2-dimethyl-1,3-dioxin-4-one.
What is the SMILES notation for 6-[4-[tert-butyl(dimethyl)silyl]-2-oxobut-3-ynyl]-2,2-dimethyl-1,3-dioxin-4-one?
The canonical SMILES for 6-[4-[tert-butyl(dimethyl)silyl]-2-oxobut-3-ynyl]-2,2-dimethyl-1,3-dioxin-4-one is CC1(C)OC(=O)C=C(CC(=O)C#C[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of 6-[4-[tert-butyl(dimethyl)silyl]-2-oxobut-3-ynyl]-2,2-dimethyl-1,3-dioxin-4-one?
The InChIKey is ORKMBJMEQJSEID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O4Si/c1-15(2,3)21(6,7)9-8-12(17)10-13-11-14(18)20-16(4,5)19-13/h11H,10H2,1-7H3.
What are the key properties of 6-[4-[tert-butyl(dimethyl)silyl]-2-oxobut-3-ynyl]-2,2-dimethyl-1,3-dioxin-4-one?
6-[4-[tert-butyl(dimethyl)silyl]-2-oxobut-3-ynyl]-2,2-dimethyl-1,3-dioxin-4-one has a molecular weight of 308.45 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[tert-butyl(dimethyl)silyl]-2-oxobut-3-ynyl]-2,2-dimethyl-1,3-dioxin-4-one is sourced from PubChem (CID 11472349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).