6-[3-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-4-yn-2-yl]-4-methoxypyran-2-one

C18H28O4Si — CID 134969584

IUPAC6-[3-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-4-yn-2-yl]-4-methoxypyran-2-one
SMILESC#CC(O[Si](C)(C)C(C)(C)C)C(C)(C)c1cc(OC)cc(=O)o1
InChIInChI=1S/C18H28O4Si/c1-10-14(22-23(8,9)17(2,3)4)18(5,6)15-11-13(20-7)12-16(19)21-15/h1,11-12,14H,2-9H3
InChIKeyDSQXOWHKKOSOON-UHFFFAOYSA-N
MW336.50 g/mol
LogP3.95
Rot. Bonds5

About 6-[3-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-4-yn-2-yl]-4-methoxypyran-2-one

6-[3-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-4-yn-2-yl]-4-methoxypyran-2-one (PubChem CID 134969584) has the molecular formula C18H28O4Si and a molecular weight of 336.50 g/mol. Its IUPAC name is 6-[3-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-4-yn-2-yl]-4-methoxypyran-2-one.

Molecular Properties

Compound Name6-[3-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-4-yn-2-yl]-4-methoxypyran-2-one
PubChem CID134969584
Molecular FormulaC18H28O4Si
Molecular Weight336.50 g/mol
Exact Mass336.18
IUPAC Name6-[3-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-4-yn-2-yl]-4-methoxypyran-2-one
SMILESC#CC(O[Si](C)(C)C(C)(C)C)C(C)(C)c1cc(OC)cc(=O)o1
InChIInChI=1S/C18H28O4Si/c1-10-14(22-23(8,9)17(2,3)4)18(5,6)15-11-13(20-7)12-16(19)21-15/h1,11-12,14H,2-9H3
InChIKeyDSQXOWHKKOSOON-UHFFFAOYSA-N
XLogP3.95
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.50
LogP ≤ 53.95
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 6-[3-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-4-yn-2-yl]-4-methoxypyran-2-one?
The IUPAC name of 6-[3-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-4-yn-2-yl]-4-methoxypyran-2-one (CID 134969584) is 6-[3-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-4-yn-2-yl]-4-methoxypyran-2-one.
What is the SMILES notation for 6-[3-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-4-yn-2-yl]-4-methoxypyran-2-one?
The canonical SMILES for 6-[3-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-4-yn-2-yl]-4-methoxypyran-2-one is C#CC(O[Si](C)(C)C(C)(C)C)C(C)(C)c1cc(OC)cc(=O)o1.
What is the InChIKey of 6-[3-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-4-yn-2-yl]-4-methoxypyran-2-one?
The InChIKey is DSQXOWHKKOSOON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O4Si/c1-10-14(22-23(8,9)17(2,3)4)18(5,6)15-11-13(20-7)12-16(19)21-15/h1,11-12,14H,2-9H3.
What are the key properties of 6-[3-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-4-yn-2-yl]-4-methoxypyran-2-one?
6-[3-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-4-yn-2-yl]-4-methoxypyran-2-one has a molecular weight of 336.50 g/mol, XLogP of 3.95, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-4-yn-2-yl]-4-methoxypyran-2-one is sourced from PubChem (CID 134969584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).