1-trimethylsilyldodec-1-yn-3-one

C15H28OSi — CID 102442356

IUPAC1-trimethylsilyldodec-1-yn-3-one
SMILESCCCCCCCCCC(=O)C#C[Si](C)(C)C
InChIInChI=1S/C15H28OSi/c1-5-6-7-8-9-10-11-12-15(16)13-14-17(2,3)4/h5-12H2,1-4H3
InChIKeySKFANTGCFADRCB-UHFFFAOYSA-N
MW252.47 g/mol
LogP4.58
Rot. Bonds8

About 1-trimethylsilyldodec-1-yn-3-one

1-trimethylsilyldodec-1-yn-3-one (PubChem CID 102442356) has the molecular formula C15H28OSi and a molecular weight of 252.47 g/mol. Its IUPAC name is 1-trimethylsilyldodec-1-yn-3-one.

Molecular Properties

Compound Name1-trimethylsilyldodec-1-yn-3-one
PubChem CID102442356
Molecular FormulaC15H28OSi
Molecular Weight252.47 g/mol
Exact Mass252.19
IUPAC Name1-trimethylsilyldodec-1-yn-3-one
SMILESCCCCCCCCCC(=O)C#C[Si](C)(C)C
InChIInChI=1S/C15H28OSi/c1-5-6-7-8-9-10-11-12-15(16)13-14-17(2,3)4/h5-12H2,1-4H3
InChIKeySKFANTGCFADRCB-UHFFFAOYSA-N
XLogP4.58
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.47
LogP ≤ 54.58
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'}

Analyze 1-trimethylsilyldodec-1-yn-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Octyl trimethylsilyl ketone
CID 3538356
1-(Trimethylsilyl)-1-octyn-3-one
CID 10954493
1-(Trimethylsilyl)undec-1-yn-3-one
CID 14798469
5-Tetradecyn-7-one
CID 13479075
Undecanoyl-trimethylsilane
CID 13601208
1,8-Bis(trimethylsilyl)octa-1,7-diyn-3-one
CID 101514006
1-Heptyn-3-one, 1-(trimethylsilyl)-
CID 11019511
1-Trimethylsilyldecan-1-one
CID 11790984
1-Trimethylsilyloctan-4-one
CID 60040811
1,1-Dimethylsilacyclotridecan-7-one
CID 554403
1-Triethylsilyloctan-3-one
CID 10332003
Silane, trimethyl(1-oxooctyl)-
CID 11117077

Frequently Asked Questions

What is the IUPAC name of 1-trimethylsilyldodec-1-yn-3-one?
The IUPAC name of 1-trimethylsilyldodec-1-yn-3-one (CID 102442356) is 1-trimethylsilyldodec-1-yn-3-one.
What is the SMILES notation for 1-trimethylsilyldodec-1-yn-3-one?
The canonical SMILES for 1-trimethylsilyldodec-1-yn-3-one is CCCCCCCCCC(=O)C#C[Si](C)(C)C.
What is the InChIKey of 1-trimethylsilyldodec-1-yn-3-one?
The InChIKey is SKFANTGCFADRCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28OSi/c1-5-6-7-8-9-10-11-12-15(16)13-14-17(2,3)4/h5-12H2,1-4H3.
What are the key properties of 1-trimethylsilyldodec-1-yn-3-one?
1-trimethylsilyldodec-1-yn-3-one has a molecular weight of 252.47 g/mol, XLogP of 4.58, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-trimethylsilyldodec-1-yn-3-one is sourced from PubChem (CID 102442356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).