1-[tert-butyl(dimethyl)silyl]oxypent-4-yn-2-one

C11H20O2Si — CID 135012297

IUPAC1-[tert-butyl(dimethyl)silyl]oxypent-4-yn-2-one
SMILESC#CCC(=O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H20O2Si/c1-7-8-10(12)9-13-14(5,6)11(2,3)4/h1H,8-9H2,2-6H3
InChIKeyVSZIFFPOJOYEGJ-UHFFFAOYSA-N
MW212.36 g/mol
LogP2.60
Rot. Bonds4

About 1-[tert-butyl(dimethyl)silyl]oxypent-4-yn-2-one

1-[tert-butyl(dimethyl)silyl]oxypent-4-yn-2-one (PubChem CID 135012297) has the molecular formula C11H20O2Si and a molecular weight of 212.36 g/mol. Its IUPAC name is 1-[tert-butyl(dimethyl)silyl]oxypent-4-yn-2-one.

Molecular Properties

Compound Name1-[tert-butyl(dimethyl)silyl]oxypent-4-yn-2-one
PubChem CID135012297
Molecular FormulaC11H20O2Si
Molecular Weight212.36 g/mol
Exact Mass212.12
IUPAC Name1-[tert-butyl(dimethyl)silyl]oxypent-4-yn-2-one
SMILESC#CCC(=O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H20O2Si/c1-7-8-10(12)9-13-14(5,6)11(2,3)4/h1H,8-9H2,2-6H3
InChIKeyVSZIFFPOJOYEGJ-UHFFFAOYSA-N
XLogP2.60
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[Tert-butyl(dimethyl)silyl]oxybutan-2-one
CID 11310202
6-((tert-Butyldimethylsilyl)oxy)hex-3-yn-2-one
CID 13449457
5-((Tert-butyldimethylsilyl)oxy)pent-3-yn-2-one
CID 12764994
1-Triethylsilyloxybutan-2-one
CID 10965591
5-((Tert-butyldimethylsilyl)oxy)pent-1-yn-3-one
CID 123715488
(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
1-[Tert-butyl(dimethyl)silyl]oxybut-3-yn-2-one
CID 175038951
8-[Tert-butyl(dimethyl)silyl]oxyoct-4-yn-3-one
CID 10858037
6-[Tert-butyl(dimethyl)silyl]oxyhex-4-yn-3-one
CID 11020606
(4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylpent-1-yn-3-one
CID 11448995
7-[Tert-butyl(dimethyl)silyl]oxyhept-3-yn-2-one
CID 11658770

Frequently Asked Questions

What is the IUPAC name of 1-[tert-butyl(dimethyl)silyl]oxypent-4-yn-2-one?
The IUPAC name of 1-[tert-butyl(dimethyl)silyl]oxypent-4-yn-2-one (CID 135012297) is 1-[tert-butyl(dimethyl)silyl]oxypent-4-yn-2-one.
What is the SMILES notation for 1-[tert-butyl(dimethyl)silyl]oxypent-4-yn-2-one?
The canonical SMILES for 1-[tert-butyl(dimethyl)silyl]oxypent-4-yn-2-one is C#CCC(=O)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 1-[tert-butyl(dimethyl)silyl]oxypent-4-yn-2-one?
The InChIKey is VSZIFFPOJOYEGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2Si/c1-7-8-10(12)9-13-14(5,6)11(2,3)4/h1H,8-9H2,2-6H3.
What are the key properties of 1-[tert-butyl(dimethyl)silyl]oxypent-4-yn-2-one?
1-[tert-butyl(dimethyl)silyl]oxypent-4-yn-2-one has a molecular weight of 212.36 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[tert-butyl(dimethyl)silyl]oxypent-4-yn-2-one is sourced from PubChem (CID 135012297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).