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

C13H24O2Si — CID 12764995

IUPAC6-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-4-yn-3-one
SMILESCC(C)C(=O)C#CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H24O2Si/c1-11(2)12(14)9-8-10-15-16(6,7)13(3,4)5/h11H,10H2,1-7H3
InChIKeyNYACAPUWYJOVFM-UHFFFAOYSA-N
MW240.42 g/mol
LogP3.24
Rot. Bonds3

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

6-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-4-yn-3-one (PubChem CID 12764995) has the molecular formula C13H24O2Si and a molecular weight of 240.42 g/mol. Its IUPAC name is 6-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-4-yn-3-one.

Molecular Properties

Compound Name6-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-4-yn-3-one
PubChem CID12764995
Molecular FormulaC13H24O2Si
Molecular Weight240.42 g/mol
Exact Mass240.15
IUPAC Name6-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-4-yn-3-one
SMILESCC(C)C(=O)C#CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H24O2Si/c1-11(2)12(14)9-8-10-15-16(6,7)13(3,4)5/h11H,10H2,1-7H3
InChIKeyNYACAPUWYJOVFM-UHFFFAOYSA-N
XLogP3.24
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_2', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-Pentyn-3-one, 4-methyl-1-(trimethylsilyl)-
CID 11116455
6-[Tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylhexa-1,4-diyn-3-one
CID 12027339
6-((tert-Butyldimethylsilyl)oxy)hex-3-yn-2-one
CID 13449457
5-((Tert-butyldimethylsilyl)oxy)pent-3-yn-2-one
CID 12764994
(2S)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-4-yn-3-one
CID 11447832
4-Methyl-1-(triisopropylsilyl)pent-1-yn-3-one
CID 15358119
8-[Tert-butyl(dimethyl)silyl]oxy-2,2-dimethyloct-4-yn-3-one
CID 85843029
8-[Tert-butyl(dimethyl)silyl]oxyoct-5-yn-4-one
CID 101226814
5-{[Tri(propan-2-yl)silyl]oxy}pent-3-yn-2-one
CID 71446232
7-[Tert-butyl(dimethyl)silyl]oxy-2-methylhept-4-yn-3-one
CID 85711811
(S)-5-((tert-butyldimethylsilyl)oxy)-4-methylpent-1-yn-3-one
CID 123720335
5-[Tert-butyl(dimethyl)silyl]oxy-4-methylpent-1-yn-3-one
CID 173585666

Frequently Asked Questions

What is the IUPAC name of 6-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-4-yn-3-one?
The IUPAC name of 6-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-4-yn-3-one (CID 12764995) is 6-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-4-yn-3-one.
What is the SMILES notation for 6-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-4-yn-3-one?
The canonical SMILES for 6-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-4-yn-3-one is CC(C)C(=O)C#CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 6-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-4-yn-3-one?
The InChIKey is NYACAPUWYJOVFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2Si/c1-11(2)12(14)9-8-10-15-16(6,7)13(3,4)5/h11H,10H2,1-7H3.
What are the key properties of 6-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-4-yn-3-one?
6-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-4-yn-3-one has a molecular weight of 240.42 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-4-yn-3-one is sourced from PubChem (CID 12764995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).