7-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylhept-4-yn-3-one

C15H28O2Si — CID 10978486

IUPAC7-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylhept-4-yn-3-one
SMILESCC(C)(C)C(=O)C#CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28O2Si/c1-14(2,3)13(16)11-9-10-12-17-18(7,8)15(4,5)6/h10,12H2,1-8H3
InChIKeyTVGGXFBHOMYWHF-UHFFFAOYSA-N
MW268.47 g/mol
LogP4.02
Rot. Bonds3

About 7-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylhept-4-yn-3-one

7-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylhept-4-yn-3-one (PubChem CID 10978486) has the molecular formula C15H28O2Si and a molecular weight of 268.47 g/mol. Its IUPAC name is 7-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylhept-4-yn-3-one.

Molecular Properties

Compound Name7-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylhept-4-yn-3-one
PubChem CID10978486
Molecular FormulaC15H28O2Si
Molecular Weight268.47 g/mol
Exact Mass268.19
IUPAC Name7-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylhept-4-yn-3-one
SMILESCC(C)(C)C(=O)C#CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28O2Si/c1-14(2,3)13(16)11-9-10-12-17-18(7,8)15(4,5)6/h10,12H2,1-8H3
InChIKeyTVGGXFBHOMYWHF-UHFFFAOYSA-N
XLogP4.02
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.47
LogP ≤ 54.02
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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Frequently Asked Questions

What is the IUPAC name of 7-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylhept-4-yn-3-one?
The IUPAC name of 7-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylhept-4-yn-3-one (CID 10978486) is 7-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylhept-4-yn-3-one.
What is the SMILES notation for 7-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylhept-4-yn-3-one?
The canonical SMILES for 7-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylhept-4-yn-3-one is CC(C)(C)C(=O)C#CCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 7-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylhept-4-yn-3-one?
The InChIKey is TVGGXFBHOMYWHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2Si/c1-14(2,3)13(16)11-9-10-12-17-18(7,8)15(4,5)6/h10,12H2,1-8H3.
What are the key properties of 7-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylhept-4-yn-3-one?
7-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylhept-4-yn-3-one has a molecular weight of 268.47 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylhept-4-yn-3-one is sourced from PubChem (CID 10978486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).