4,4-dimethyl-1-trimethylsilylpent-1-yn-3-one

C10H18OSi — CID 12529654

IUPAC4,4-dimethyl-1-trimethylsilylpent-1-yn-3-one
SMILESCC(C)(C)C(=O)C#C[Si](C)(C)C
InChIInChI=1S/C10H18OSi/c1-10(2,3)9(11)7-8-12(4,5)6/h1-6H3
InChIKeyWKMFMMRPEDMERL-UHFFFAOYSA-N
MW182.34 g/mol
LogP2.48
Rot. Bonds

About 4,4-dimethyl-1-trimethylsilylpent-1-yn-3-one

4,4-dimethyl-1-trimethylsilylpent-1-yn-3-one (PubChem CID 12529654) has the molecular formula C10H18OSi and a molecular weight of 182.34 g/mol. Its IUPAC name is 4,4-dimethyl-1-trimethylsilylpent-1-yn-3-one.

Molecular Properties

Compound Name4,4-dimethyl-1-trimethylsilylpent-1-yn-3-one
PubChem CID12529654
Molecular FormulaC10H18OSi
Molecular Weight182.34 g/mol
Exact Mass182.11
IUPAC Name4,4-dimethyl-1-trimethylsilylpent-1-yn-3-one
SMILESCC(C)(C)C(=O)C#C[Si](C)(C)C
InChIInChI=1S/C10H18OSi/c1-10(2,3)9(11)7-8-12(4,5)6/h1-6H3
InChIKeyWKMFMMRPEDMERL-UHFFFAOYSA-N
XLogP2.48
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.34
LogP ≤ 52.48
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

3-trimethylsilylprop-2-ynoic acid
CID 2760863
3-trimethylsilyl(113C)prop-2-ynoic acid
CID 101015647
6,6-dimethyl-1-trimethylsilylhepta-1,4-diyn-3-one
CID 140863657
6-hydroxy-2,2-dimethylhex-4-yn-3-one
CID 118328438
1-trimethylsilylhexa-1,4-diyn-3-one
CID 86229004
[(Z)-3,4-diethynyl-6-trimethylsilylhex-3-en-1,5-diynyl]-trimethylsilane
CID 14937122
2,2,6-trimethyloct-4-yn-3-one
CID 13202844
methyl 5,5-dimethyl-4-oxohex-2-ynoate
CID 12951414
1-cyclohexyl-3-trimethylsilylprop-2-yn-1-one
CID 11020104
2,2-dimethyloct-4-yn-3-one
CID 14044073
3-methylidene-5-trimethylsilylpent-4-ynoic acid
CID 11074045
N-(4-trimethylsilylbut-1-en-3-yn-2-yl)acetamide
CID 135086683

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-trimethylsilylpent-1-yn-3-one?
The IUPAC name of 4,4-dimethyl-1-trimethylsilylpent-1-yn-3-one (CID 12529654) is 4,4-dimethyl-1-trimethylsilylpent-1-yn-3-one.
What is the SMILES notation for 4,4-dimethyl-1-trimethylsilylpent-1-yn-3-one?
The canonical SMILES for 4,4-dimethyl-1-trimethylsilylpent-1-yn-3-one is CC(C)(C)C(=O)C#C[Si](C)(C)C.
What is the InChIKey of 4,4-dimethyl-1-trimethylsilylpent-1-yn-3-one?
The InChIKey is WKMFMMRPEDMERL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18OSi/c1-10(2,3)9(11)7-8-12(4,5)6/h1-6H3.
What are the key properties of 4,4-dimethyl-1-trimethylsilylpent-1-yn-3-one?
4,4-dimethyl-1-trimethylsilylpent-1-yn-3-one has a molecular weight of 182.34 g/mol, XLogP of 2.48, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-trimethylsilylpent-1-yn-3-one is sourced from PubChem (CID 12529654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).