1-(1-adamantyl)-3-trimethylsilylprop-2-yn-1-one

C16H24OSi — CID 10706496

IUPAC1-(1-adamantyl)-3-trimethylsilylprop-2-yn-1-one
SMILESC[Si](C)(C)C#CC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H24OSi/c1-18(2,3)5-4-15(17)16-9-12-6-13(10-16)8-14(7-12)11-16/h12-14H,6-11H2,1-3H3
InChIKeyKUOUHVOJWXTEIU-UHFFFAOYSA-N
MW260.45 g/mol
LogP3.65
Rot. Bonds1

About 1-(1-adamantyl)-3-trimethylsilylprop-2-yn-1-one

1-(1-adamantyl)-3-trimethylsilylprop-2-yn-1-one (PubChem CID 10706496) has the molecular formula C16H24OSi and a molecular weight of 260.45 g/mol. Its IUPAC name is 1-(1-adamantyl)-3-trimethylsilylprop-2-yn-1-one.

Molecular Properties

Compound Name1-(1-adamantyl)-3-trimethylsilylprop-2-yn-1-one
PubChem CID10706496
Molecular FormulaC16H24OSi
Molecular Weight260.45 g/mol
Exact Mass260.16
IUPAC Name1-(1-adamantyl)-3-trimethylsilylprop-2-yn-1-one
SMILESC[Si](C)(C)C#CC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H24OSi/c1-18(2,3)5-4-15(17)16-9-12-6-13(10-16)8-14(7-12)11-16/h12-14H,6-11H2,1-3H3
InChIKeyKUOUHVOJWXTEIU-UHFFFAOYSA-N
XLogP3.65
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.45
LogP ≤ 53.65
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

(Adamant-1-yl-carbonyl)-tris(trimethylsilyl)silane
CID 4125203
4-Trimethylsilyladamantan-2-one
CID 13131348
1-Adamantyl-[methyl-bis(trimethylsilyl)silyl]methanone
CID 15900435
4-Tert-butyl-2-(3-trimethylsilylprop-2-ynyl)cyclohexan-1-one
CID 75040801
1-(1-Adamantyl)non-2-yn-1-one
CID 101512278
1-Adamantyl-[propan-2-yl-bis(trimethylsilyl)silyl]methanone
CID 135006656
4-Tert-butyl-2-methyl-6-(3-trimethylsilylprop-2-ynyl)cyclohexan-1-one
CID 135049648
1-(1-Adamantyl)prop-2-yn-1-one
CID 11095373
1-Adamantyl-[tert-butyl-bis(trimethylsilyl)silyl]methanone
CID 13449011
1-(3-Ethynyl-1-adamantyl)ethanone
CID 89159672
1-Trimethylsilyladamantan-2-one
CID 91171503
1-(1-Adamantyl)-4-cyclobutylbut-2-yn-1-one
CID 123490339

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-3-trimethylsilylprop-2-yn-1-one?
The IUPAC name of 1-(1-adamantyl)-3-trimethylsilylprop-2-yn-1-one (CID 10706496) is 1-(1-adamantyl)-3-trimethylsilylprop-2-yn-1-one.
What is the SMILES notation for 1-(1-adamantyl)-3-trimethylsilylprop-2-yn-1-one?
The canonical SMILES for 1-(1-adamantyl)-3-trimethylsilylprop-2-yn-1-one is C[Si](C)(C)C#CC(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantyl)-3-trimethylsilylprop-2-yn-1-one?
The InChIKey is KUOUHVOJWXTEIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24OSi/c1-18(2,3)5-4-15(17)16-9-12-6-13(10-16)8-14(7-12)11-16/h12-14H,6-11H2,1-3H3.
What are the key properties of 1-(1-adamantyl)-3-trimethylsilylprop-2-yn-1-one?
1-(1-adamantyl)-3-trimethylsilylprop-2-yn-1-one has a molecular weight of 260.45 g/mol, XLogP of 3.65, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-3-trimethylsilylprop-2-yn-1-one is sourced from PubChem (CID 10706496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).