5-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylpent-1-yn-3-one

C14H28O2Si2 — CID 138968520

IUPAC5-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylpent-1-yn-3-one
SMILESCC(C)(C)[Si](C)(C)OCCC(=O)C#C[Si](C)(C)C
InChIInChI=1S/C14H28O2Si2/c1-14(2,3)18(7,8)16-11-9-13(15)10-12-17(4,5)6/h9,11H2,1-8H3
InChIKeyYPBOZLFSAPBUTC-UHFFFAOYSA-N
MW284.55 g/mol
LogP3.85
Rot. Bonds4

About 5-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylpent-1-yn-3-one

5-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylpent-1-yn-3-one (PubChem CID 138968520) has the molecular formula C14H28O2Si2 and a molecular weight of 284.55 g/mol. Its IUPAC name is 5-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylpent-1-yn-3-one.

Molecular Properties

Compound Name5-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylpent-1-yn-3-one
PubChem CID138968520
Molecular FormulaC14H28O2Si2
Molecular Weight284.55 g/mol
Exact Mass284.16
IUPAC Name5-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylpent-1-yn-3-one
SMILESCC(C)(C)[Si](C)(C)OCCC(=O)C#C[Si](C)(C)C
InChIInChI=1S/C14H28O2Si2/c1-14(2,3)18(7,8)16-11-9-13(15)10-12-17(4,5)6/h9,11H2,1-8H3
InChIKeyYPBOZLFSAPBUTC-UHFFFAOYSA-N
XLogP3.85
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.55
LogP ≤ 53.85
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'}

Analyze 5-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylpent-1-yn-3-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-[Tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylhexa-1,4-diyn-3-one
CID 12027339
4-[(tert-Butyldimethylsilyl)oxy]butan-2-one
CID 11030898
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
1,9-Bis[[tert-butyl(dimethyl)silyl]oxy]non-4-yn-3-one
CID 11452321
1,8-Bis[[tert-butyl(dimethyl)silyl]oxy]oct-4-yn-3-one
CID 12040186
6-[Tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylhex-1-yn-3-one
CID 146161882
1,16-Bis[[tert-butyl(dimethyl)silyl]oxy]hexadeca-3,5,10,12-tetrayn-7-one
CID 89717141
1,16-Bis[[tert-butyl(dimethyl)silyl]oxy]hexadeca-4,6,11,13-tetrayn-8-one
CID 89717142
5-((Tert-butyldimethylsilyl)oxy)pent-1-yn-3-one
CID 123715488
(S)-5-((tert-butyldimethylsilyl)oxy)-4-methylpent-1-yn-3-one
CID 123720335

Frequently Asked Questions

What is the IUPAC name of 5-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylpent-1-yn-3-one?
The IUPAC name of 5-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylpent-1-yn-3-one (CID 138968520) is 5-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylpent-1-yn-3-one.
What is the SMILES notation for 5-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylpent-1-yn-3-one?
The canonical SMILES for 5-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylpent-1-yn-3-one is CC(C)(C)[Si](C)(C)OCCC(=O)C#C[Si](C)(C)C.
What is the InChIKey of 5-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylpent-1-yn-3-one?
The InChIKey is YPBOZLFSAPBUTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2Si2/c1-14(2,3)18(7,8)16-11-9-13(15)10-12-17(4,5)6/h9,11H2,1-8H3.
What are the key properties of 5-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylpent-1-yn-3-one?
5-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylpent-1-yn-3-one has a molecular weight of 284.55 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylpent-1-yn-3-one is sourced from PubChem (CID 138968520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).