6-[tert-butyl(dimethyl)silyl]oxyhex-4-yn-3-one

C12H22O2Si — CID 11020606

IUPAC6-[tert-butyl(dimethyl)silyl]oxyhex-4-yn-3-one
SMILESCCC(=O)C#CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H22O2Si/c1-7-11(13)9-8-10-14-15(5,6)12(2,3)4/h7,10H2,1-6H3
InChIKeyWHWYNSCJUUNXPL-UHFFFAOYSA-N
MW226.39 g/mol
LogP2.99
Rot. Bonds3

About 6-[tert-butyl(dimethyl)silyl]oxyhex-4-yn-3-one

6-[tert-butyl(dimethyl)silyl]oxyhex-4-yn-3-one (PubChem CID 11020606) has the molecular formula C12H22O2Si and a molecular weight of 226.39 g/mol. Its IUPAC name is 6-[tert-butyl(dimethyl)silyl]oxyhex-4-yn-3-one.

Molecular Properties

Compound Name6-[tert-butyl(dimethyl)silyl]oxyhex-4-yn-3-one
PubChem CID11020606
Molecular FormulaC12H22O2Si
Molecular Weight226.39 g/mol
Exact Mass226.14
IUPAC Name6-[tert-butyl(dimethyl)silyl]oxyhex-4-yn-3-one
SMILESCCC(=O)C#CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H22O2Si/c1-7-11(13)9-8-10-14-15(5,6)12(2,3)4/h7,10H2,1-6H3
InChIKeyWHWYNSCJUUNXPL-UHFFFAOYSA-N
XLogP2.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.39
LogP ≤ 52.99
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

5-((Tert-butyldimethylsilyl)oxy)pent-2-ynal
CID 14591859
4-((Tert-butyldimethylsilyl)oxy)-4-methylpent-2-ynal
CID 10889620
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-Butyldimethylsilyloxy)-1,1,1-trifluoropent-3-yn-2-one
CID 86663139
6-[Tert-butyl(dimethyl)silyl]oxy-1,1-difluorohex-3-yn-2-one
CID 165125046
5-[Tert-butyl(dimethyl)silyl]oxy-1,1-difluoropent-3-yn-2-one
CID 167483890
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
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
1-[Tert-butyl(dimethyl)silyl]oxypent-4-yn-2-one
CID 135012297

Frequently Asked Questions

What is the IUPAC name of 6-[tert-butyl(dimethyl)silyl]oxyhex-4-yn-3-one?
The IUPAC name of 6-[tert-butyl(dimethyl)silyl]oxyhex-4-yn-3-one (CID 11020606) is 6-[tert-butyl(dimethyl)silyl]oxyhex-4-yn-3-one.
What is the SMILES notation for 6-[tert-butyl(dimethyl)silyl]oxyhex-4-yn-3-one?
The canonical SMILES for 6-[tert-butyl(dimethyl)silyl]oxyhex-4-yn-3-one is CCC(=O)C#CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 6-[tert-butyl(dimethyl)silyl]oxyhex-4-yn-3-one?
The InChIKey is WHWYNSCJUUNXPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2Si/c1-7-11(13)9-8-10-14-15(5,6)12(2,3)4/h7,10H2,1-6H3.
What are the key properties of 6-[tert-butyl(dimethyl)silyl]oxyhex-4-yn-3-one?
6-[tert-butyl(dimethyl)silyl]oxyhex-4-yn-3-one has a molecular weight of 226.39 g/mol, XLogP of 2.99, 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]oxyhex-4-yn-3-one is sourced from PubChem (CID 11020606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).