2,2-dimethyl-5,7-bis(trimethylsilyl)hept-6-yn-3-one

C15H30OSi2 — CID 166438595

IUPAC2,2-dimethyl-5,7-bis(trimethylsilyl)hept-6-yn-3-one
SMILESCC(C)(C)C(=O)CC(C#C[Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C15H30OSi2/c1-15(2,3)14(16)12-13(18(7,8)9)10-11-17(4,5)6/h13H,12H2,1-9H3
InChIKeyLEQYUEPTVJDLOS-UHFFFAOYSA-N
MW282.58 g/mol
LogP4.58
Rot. Bonds3

About 2,2-dimethyl-5,7-bis(trimethylsilyl)hept-6-yn-3-one

2,2-dimethyl-5,7-bis(trimethylsilyl)hept-6-yn-3-one (PubChem CID 166438595) has the molecular formula C15H30OSi2 and a molecular weight of 282.58 g/mol. Its IUPAC name is 2,2-dimethyl-5,7-bis(trimethylsilyl)hept-6-yn-3-one.

Molecular Properties

Compound Name2,2-dimethyl-5,7-bis(trimethylsilyl)hept-6-yn-3-one
PubChem CID166438595
Molecular FormulaC15H30OSi2
Molecular Weight282.58 g/mol
Exact Mass282.18
IUPAC Name2,2-dimethyl-5,7-bis(trimethylsilyl)hept-6-yn-3-one
SMILESCC(C)(C)C(=O)CC(C#C[Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C15H30OSi2/c1-15(2,3)14(16)12-13(18(7,8)9)10-11-17(4,5)6/h13H,12H2,1-9H3
InChIKeyLEQYUEPTVJDLOS-UHFFFAOYSA-N
XLogP4.58
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.58
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

4,4-Dimethyl-1-(trimethylsilyl)pent-1-yn-3-one
CID 12529654
(3R)-3-methyl-3-(3-trimethylsilylprop-2-ynyl)heptan-2-one
CID 16719376
5,5-Dimethyl-1-trimethylsilylhexan-3-one
CID 100921794
4,4-Dimethyl-1-trimethylsilylpentan-2-one
CID 14272124
5-Methyl-1-(trimethylsilyl)hex-1-yn-3-one
CID 12748616
4,4-Dimethyl-5-trimethylsilylpentan-2-one
CID 17756223
2-Methyl-7-trimethylsilylhept-6-yn-3-one
CID 57691775
4,4-Dimethyl-1-trimethylsilylhexan-3-one
CID 58205907
6,6-Dimethyl-1-tri(propan-2-yl)silylhept-1-yn-4-one
CID 59628205
1-[Tert-butyl(dimethyl)silyl]-6,6-dimethylhept-1-yn-4-one
CID 59628210
6,6-Dimethyl-1-trimethylsilylhept-1-yn-4-one
CID 59628212
4,4-Dimethyl-7-trimethylsilylhept-6-yn-2-one
CID 10584598

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5,7-bis(trimethylsilyl)hept-6-yn-3-one?
The IUPAC name of 2,2-dimethyl-5,7-bis(trimethylsilyl)hept-6-yn-3-one (CID 166438595) is 2,2-dimethyl-5,7-bis(trimethylsilyl)hept-6-yn-3-one.
What is the SMILES notation for 2,2-dimethyl-5,7-bis(trimethylsilyl)hept-6-yn-3-one?
The canonical SMILES for 2,2-dimethyl-5,7-bis(trimethylsilyl)hept-6-yn-3-one is CC(C)(C)C(=O)CC(C#C[Si](C)(C)C)[Si](C)(C)C.
What is the InChIKey of 2,2-dimethyl-5,7-bis(trimethylsilyl)hept-6-yn-3-one?
The InChIKey is LEQYUEPTVJDLOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30OSi2/c1-15(2,3)14(16)12-13(18(7,8)9)10-11-17(4,5)6/h13H,12H2,1-9H3.
What are the key properties of 2,2-dimethyl-5,7-bis(trimethylsilyl)hept-6-yn-3-one?
2,2-dimethyl-5,7-bis(trimethylsilyl)hept-6-yn-3-one has a molecular weight of 282.58 g/mol, XLogP of 4.58, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5,7-bis(trimethylsilyl)hept-6-yn-3-one is sourced from PubChem (CID 166438595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).