4-tri(propan-2-yl)silylbut-3-yn-2-one

C13H24OSi — CID 11708389

IUPAC4-tri(propan-2-yl)silylbut-3-yn-2-one
SMILESCC(=O)C#C[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C13H24OSi/c1-10(2)15(11(3)4,12(5)6)9-8-13(7)14/h10-12H,1-7H3
InChIKeyNPYFEONCKNXUGE-UHFFFAOYSA-N
MW224.42 g/mol
LogP3.80
Rot. Bonds3

About 4-tri(propan-2-yl)silylbut-3-yn-2-one

4-tri(propan-2-yl)silylbut-3-yn-2-one (PubChem CID 11708389) has the molecular formula C13H24OSi and a molecular weight of 224.42 g/mol. Its IUPAC name is 4-tri(propan-2-yl)silylbut-3-yn-2-one.

Molecular Properties

Compound Name4-tri(propan-2-yl)silylbut-3-yn-2-one
PubChem CID11708389
Molecular FormulaC13H24OSi
Molecular Weight224.42 g/mol
Exact Mass224.16
IUPAC Name4-tri(propan-2-yl)silylbut-3-yn-2-one
SMILESCC(=O)C#C[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C13H24OSi/c1-10(2)15(11(3)4,12(5)6)9-8-13(7)14/h10-12H,1-7H3
InChIKeyNPYFEONCKNXUGE-UHFFFAOYSA-N
XLogP3.80
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.42
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-tri(propan-2-yl)silylbut-3-yn-2-one?
The IUPAC name of 4-tri(propan-2-yl)silylbut-3-yn-2-one (CID 11708389) is 4-tri(propan-2-yl)silylbut-3-yn-2-one.
What is the SMILES notation for 4-tri(propan-2-yl)silylbut-3-yn-2-one?
The canonical SMILES for 4-tri(propan-2-yl)silylbut-3-yn-2-one is CC(=O)C#C[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of 4-tri(propan-2-yl)silylbut-3-yn-2-one?
The InChIKey is NPYFEONCKNXUGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24OSi/c1-10(2)15(11(3)4,12(5)6)9-8-13(7)14/h10-12H,1-7H3.
What are the key properties of 4-tri(propan-2-yl)silylbut-3-yn-2-one?
4-tri(propan-2-yl)silylbut-3-yn-2-one has a molecular weight of 224.42 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tri(propan-2-yl)silylbut-3-yn-2-one is sourced from PubChem (CID 11708389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).