8-[tert-butyl(dimethyl)silyl]oxyoct-5-yn-4-one

C14H26O2Si — CID 101226814

IUPAC8-[tert-butyl(dimethyl)silyl]oxyoct-5-yn-4-one
SMILESCCCC(=O)C#CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H26O2Si/c1-7-10-13(15)11-8-9-12-16-17(5,6)14(2,3)4/h7,9-10,12H2,1-6H3
InChIKeyQFOINAPJUVKXAX-UHFFFAOYSA-N
MW254.45 g/mol
LogP3.77
Rot. Bonds5

About 8-[tert-butyl(dimethyl)silyl]oxyoct-5-yn-4-one

8-[tert-butyl(dimethyl)silyl]oxyoct-5-yn-4-one (PubChem CID 101226814) has the molecular formula C14H26O2Si and a molecular weight of 254.45 g/mol. Its IUPAC name is 8-[tert-butyl(dimethyl)silyl]oxyoct-5-yn-4-one.

Molecular Properties

Compound Name8-[tert-butyl(dimethyl)silyl]oxyoct-5-yn-4-one
PubChem CID101226814
Molecular FormulaC14H26O2Si
Molecular Weight254.45 g/mol
Exact Mass254.17
IUPAC Name8-[tert-butyl(dimethyl)silyl]oxyoct-5-yn-4-one
SMILESCCCC(=O)C#CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H26O2Si/c1-7-10-13(15)11-8-9-12-16-17(5,6)14(2,3)4/h7,9-10,12H2,1-6H3
InChIKeyQFOINAPJUVKXAX-UHFFFAOYSA-N
XLogP3.77
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.45
LogP ≤ 53.77
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': 'Michael_acceptor_2', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-(Trimethylsilyl)hex-1-yn-3-one
CID 337061
6-(Trimethylsilyl)hex-5-yn-2-one
CID 11182860
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
3-[Dimethyl(propan-2-yloxy)silyl]pentan-2-one
CID 72740803
6-[Tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylhex-1-yn-3-one
CID 146161882
5-{[Tri(propan-2-yl)silyl]oxy}pent-3-yn-2-one
CID 71446232
6-[Tert-butyl(dimethyl)silyl]oxy-2-methylhex-4-yn-3-one
CID 12764995
5-[Methoxy(dimethyl)silyl]pentan-2-one
CID 59371927
7-[Tert-butyl(dimethyl)silyl]oxy-2-methylhept-4-yn-3-one
CID 85711811
1,16-Bis[[tert-butyl(dimethyl)silyl]oxy]hexadeca-3,5,10,12-tetrayn-7-one
CID 89717141

Frequently Asked Questions

What is the IUPAC name of 8-[tert-butyl(dimethyl)silyl]oxyoct-5-yn-4-one?
The IUPAC name of 8-[tert-butyl(dimethyl)silyl]oxyoct-5-yn-4-one (CID 101226814) is 8-[tert-butyl(dimethyl)silyl]oxyoct-5-yn-4-one.
What is the SMILES notation for 8-[tert-butyl(dimethyl)silyl]oxyoct-5-yn-4-one?
The canonical SMILES for 8-[tert-butyl(dimethyl)silyl]oxyoct-5-yn-4-one is CCCC(=O)C#CCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 8-[tert-butyl(dimethyl)silyl]oxyoct-5-yn-4-one?
The InChIKey is QFOINAPJUVKXAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2Si/c1-7-10-13(15)11-8-9-12-16-17(5,6)14(2,3)4/h7,9-10,12H2,1-6H3.
What are the key properties of 8-[tert-butyl(dimethyl)silyl]oxyoct-5-yn-4-one?
8-[tert-butyl(dimethyl)silyl]oxyoct-5-yn-4-one has a molecular weight of 254.45 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[tert-butyl(dimethyl)silyl]oxyoct-5-yn-4-one is sourced from PubChem (CID 101226814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).