1-[dimethyl(3-trimethylsilylprop-2-ynyl)silyl]heptan-1-one

C15H30OSi2 — CID 166444851

IUPAC1-[dimethyl(3-trimethylsilylprop-2-ynyl)silyl]heptan-1-one
SMILESCCCCCCC(=O)[Si](C)(C)CC#C[Si](C)(C)C
InChIInChI=1S/C15H30OSi2/c1-7-8-9-10-12-15(16)18(5,6)14-11-13-17(2,3)4/h7-10,12,14H2,1-6H3
InChIKeyRVFLCEFWLWFQDF-UHFFFAOYSA-N
MW282.58 g/mol
LogP4.65
Rot. Bonds7

About 1-[dimethyl(3-trimethylsilylprop-2-ynyl)silyl]heptan-1-one

1-[dimethyl(3-trimethylsilylprop-2-ynyl)silyl]heptan-1-one (PubChem CID 166444851) has the molecular formula C15H30OSi2 and a molecular weight of 282.58 g/mol. Its IUPAC name is 1-[dimethyl(3-trimethylsilylprop-2-ynyl)silyl]heptan-1-one.

Molecular Properties

Compound Name1-[dimethyl(3-trimethylsilylprop-2-ynyl)silyl]heptan-1-one
PubChem CID166444851
Molecular FormulaC15H30OSi2
Molecular Weight282.58 g/mol
Exact Mass282.18
IUPAC Name1-[dimethyl(3-trimethylsilylprop-2-ynyl)silyl]heptan-1-one
SMILESCCCCCCC(=O)[Si](C)(C)CC#C[Si](C)(C)C
InChIInChI=1S/C15H30OSi2/c1-7-8-9-10-12-15(16)18(5,6)14-11-13-17(2,3)4/h7-10,12,14H2,1-6H3
InChIKeyRVFLCEFWLWFQDF-UHFFFAOYSA-N
XLogP4.65
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.58
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

Octyl trimethylsilyl ketone
CID 3538356
1-(Trimethylsilyl)-1-octyn-3-one
CID 10954493
1-(Trimethylsilyl)undec-1-yn-3-one
CID 14798469
Undecanoyl-trimethylsilane
CID 13601208
1-Trimethylsilyldecan-1-one
CID 11790984
1-(Trimethylsilyl)heptan-1-one
CID 12829476
1-[Tert-butyl(dimethyl)silyl]octan-1-one
CID 10728899
Silane, trimethyl(1-oxooctyl)-
CID 11117077
1-Triethylsilylheptan-1-one
CID 11447533
1-Trimethylsilyldec-1-yn-3-one
CID 11746290
1-Trimethylsilyldodec-1-yn-3-one
CID 102442356
CID 134892964
CID 134892964

Frequently Asked Questions

What is the IUPAC name of 1-[dimethyl(3-trimethylsilylprop-2-ynyl)silyl]heptan-1-one?
The IUPAC name of 1-[dimethyl(3-trimethylsilylprop-2-ynyl)silyl]heptan-1-one (CID 166444851) is 1-[dimethyl(3-trimethylsilylprop-2-ynyl)silyl]heptan-1-one.
What is the SMILES notation for 1-[dimethyl(3-trimethylsilylprop-2-ynyl)silyl]heptan-1-one?
The canonical SMILES for 1-[dimethyl(3-trimethylsilylprop-2-ynyl)silyl]heptan-1-one is CCCCCCC(=O)[Si](C)(C)CC#C[Si](C)(C)C.
What is the InChIKey of 1-[dimethyl(3-trimethylsilylprop-2-ynyl)silyl]heptan-1-one?
The InChIKey is RVFLCEFWLWFQDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30OSi2/c1-7-8-9-10-12-15(16)18(5,6)14-11-13-17(2,3)4/h7-10,12,14H2,1-6H3.
What are the key properties of 1-[dimethyl(3-trimethylsilylprop-2-ynyl)silyl]heptan-1-one?
1-[dimethyl(3-trimethylsilylprop-2-ynyl)silyl]heptan-1-one has a molecular weight of 282.58 g/mol, XLogP of 4.65, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[dimethyl(3-trimethylsilylprop-2-ynyl)silyl]heptan-1-one is sourced from PubChem (CID 166444851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).