7-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylhept-1-yn-3-one

C16H32O2Si2 — CID 101417304

IUPAC7-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylhept-1-yn-3-one
SMILESCC(C)(C)[Si](C)(C)OCCCCC(=O)C#C[Si](C)(C)C
InChIInChI=1S/C16H32O2Si2/c1-16(2,3)20(7,8)18-13-10-9-11-15(17)12-14-19(4,5)6/h9-11,13H2,1-8H3
InChIKeyBSOKVAOECYSCGT-UHFFFAOYSA-N
MW312.60 g/mol
LogP4.63
Rot. Bonds6

About 7-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylhept-1-yn-3-one

7-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylhept-1-yn-3-one (PubChem CID 101417304) has the molecular formula C16H32O2Si2 and a molecular weight of 312.60 g/mol. Its IUPAC name is 7-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylhept-1-yn-3-one.

Molecular Properties

Compound Name7-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylhept-1-yn-3-one
PubChem CID101417304
Molecular FormulaC16H32O2Si2
Molecular Weight312.60 g/mol
Exact Mass312.19
IUPAC Name7-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylhept-1-yn-3-one
SMILESCC(C)(C)[Si](C)(C)OCCCCC(=O)C#C[Si](C)(C)C
InChIInChI=1S/C16H32O2Si2/c1-16(2,3)20(7,8)18-13-10-9-11-15(17)12-14-19(4,5)6/h9-11,13H2,1-8H3
InChIKeyBSOKVAOECYSCGT-UHFFFAOYSA-N
XLogP4.63
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.60
LogP ≤ 54.63
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'}

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Related Compounds

2-Hexanone, 6-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-
CID 10922346
6-Tri(propan-2-yl)silyloxyhexan-2-one
CID 10635941
(2S,9S)-2,9-bis[[tert-butyl(dimethyl)silyl]oxy]trideca-4,7-diyn-6-one
CID 11339911
(2S,10S)-2,10-bis[[tert-butyl(dimethyl)silyl]oxy]tridec-7-yn-6-one
CID 11236388
(2S,10S)-2,10-bis[[tert-butyl(dimethyl)silyl]oxy]-4,4,5,5-tetradeuteriotridec-7-yn-6-one
CID 11340103
2,10-Bis[[tert-butyl(dimethyl)silyl]oxy]-7,7,8,8-tetradeuterioundec-4-yn-6-one
CID 11430356
2,11-Bis[[tert-butyl(dimethyl)silyl]oxy]dodec-4-yn-6-one
CID 16116684
2,11-Bis[[tert-butyl(dimethyl)silyl]oxy]tridec-4-yn-6-one
CID 16116685
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
5,11-Bis[[tert-butyl(dimethyl)silyl]oxy]-1-trimethylsilylundeca-1,7-diyn-6-one
CID 11990076
(8S)-1-[tert-butyl(dimethyl)silyl]oxy-8-tri(propan-2-yl)silyloxydodec-6-yn-5-one
CID 46894186

Frequently Asked Questions

What is the IUPAC name of 7-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylhept-1-yn-3-one?
The IUPAC name of 7-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylhept-1-yn-3-one (CID 101417304) is 7-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylhept-1-yn-3-one.
What is the SMILES notation for 7-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylhept-1-yn-3-one?
The canonical SMILES for 7-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylhept-1-yn-3-one is CC(C)(C)[Si](C)(C)OCCCCC(=O)C#C[Si](C)(C)C.
What is the InChIKey of 7-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylhept-1-yn-3-one?
The InChIKey is BSOKVAOECYSCGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O2Si2/c1-16(2,3)20(7,8)18-13-10-9-11-15(17)12-14-19(4,5)6/h9-11,13H2,1-8H3.
What are the key properties of 7-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylhept-1-yn-3-one?
7-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylhept-1-yn-3-one has a molecular weight of 312.60 g/mol, XLogP of 4.63, 6 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-1-trimethylsilylhept-1-yn-3-one is sourced from PubChem (CID 101417304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).