6-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylhex-1-yn-3-one

C15H30O2Si2 — CID 146161882

IUPAC6-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylhex-1-yn-3-one
SMILESCC(C)(C)[Si](C)(C)OCCCC(=O)C#C[Si](C)(C)C
InChIInChI=1S/C15H30O2Si2/c1-15(2,3)19(7,8)17-12-9-10-14(16)11-13-18(4,5)6/h9-10,12H2,1-8H3
InChIKeyHSJFHDXOAVJUCC-UHFFFAOYSA-N
MW298.57 g/mol
LogP4.24
Rot. Bonds5

About 6-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylhex-1-yn-3-one

6-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylhex-1-yn-3-one (PubChem CID 146161882) has the molecular formula C15H30O2Si2 and a molecular weight of 298.57 g/mol. Its IUPAC name is 6-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylhex-1-yn-3-one.

Molecular Properties

Compound Name6-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylhex-1-yn-3-one
PubChem CID146161882
Molecular FormulaC15H30O2Si2
Molecular Weight298.57 g/mol
Exact Mass298.18
IUPAC Name6-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylhex-1-yn-3-one
SMILESCC(C)(C)[Si](C)(C)OCCCC(=O)C#C[Si](C)(C)C
InChIInChI=1S/C15H30O2Si2/c1-15(2,3)19(7,8)17-12-9-10-14(16)11-13-18(4,5)6/h9-10,12H2,1-8H3
InChIKeyHSJFHDXOAVJUCC-UHFFFAOYSA-N
XLogP4.24
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.57
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylhex-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

5-[(Tert-butyldimethylsilyl)oxy]pentan-2-one
CID 10680263
1,9-Bis[[tert-butyl(dimethyl)silyl]oxy]non-4-yn-3-one
CID 11452321
8-[Tert-butyl(dimethyl)silyl]oxyoct-5-yn-4-one
CID 101226814
5-[Tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylpent-1-yn-3-one
CID 138968520
5-Triethylsilyloxypentan-2-one
CID 18622862
5-[Tert-butyl(dimethyl)silyl]oxypentane-2,3-dione
CID 59850474
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
1-((Tert-butyldimethylsilyl)oxy)-7-hydroxyhept-2-yn-4-one
CID 102279812
8-[Tert-butyl(dimethyl)silyl]oxyoct-4-yn-3-one
CID 10858037
8-[Tert-butyl(dimethyl)silyl]oxy-1-tri(propan-2-yl)silyloct-3-yn-1-one
CID 11080110
6-(tert-Butyl-dimethyl-silanyloxy)-hexan-3-one
CID 21580046

Frequently Asked Questions

What is the IUPAC name of 6-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylhex-1-yn-3-one?
The IUPAC name of 6-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylhex-1-yn-3-one (CID 146161882) is 6-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylhex-1-yn-3-one.
What is the SMILES notation for 6-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylhex-1-yn-3-one?
The canonical SMILES for 6-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylhex-1-yn-3-one is CC(C)(C)[Si](C)(C)OCCCC(=O)C#C[Si](C)(C)C.
What is the InChIKey of 6-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylhex-1-yn-3-one?
The InChIKey is HSJFHDXOAVJUCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O2Si2/c1-15(2,3)19(7,8)17-12-9-10-14(16)11-13-18(4,5)6/h9-10,12H2,1-8H3.
What are the key properties of 6-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylhex-1-yn-3-one?
6-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylhex-1-yn-3-one has a molecular weight of 298.57 g/mol, XLogP of 4.24, 5 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-1-trimethylsilylhex-1-yn-3-one is sourced from PubChem (CID 146161882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).