1-trimethylsilyldodecane-2,5-dione

C15H30O2Si — CID 134987671

IUPAC1-trimethylsilyldodecane-2,5-dione
SMILESCCCCCCCC(=O)CCC(=O)C[Si](C)(C)C
InChIInChI=1S/C15H30O2Si/c1-5-6-7-8-9-10-14(16)11-12-15(17)13-18(2,3)4/h5-13H2,1-4H3
InChIKeyQVRKDLOCULLTBD-UHFFFAOYSA-N
MW270.49 g/mol
LogP4.60
Rot. Bonds11

About 1-trimethylsilyldodecane-2,5-dione

1-trimethylsilyldodecane-2,5-dione (PubChem CID 134987671) has the molecular formula C15H30O2Si and a molecular weight of 270.49 g/mol. Its IUPAC name is 1-trimethylsilyldodecane-2,5-dione.

Molecular Properties

Compound Name1-trimethylsilyldodecane-2,5-dione
PubChem CID134987671
Molecular FormulaC15H30O2Si
Molecular Weight270.49 g/mol
Exact Mass270.20
IUPAC Name1-trimethylsilyldodecane-2,5-dione
SMILESCCCCCCCC(=O)CCC(=O)C[Si](C)(C)C
InChIInChI=1S/C15H30O2Si/c1-5-6-7-8-9-10-14(16)11-12-15(17)13-18(2,3)4/h5-13H2,1-4H3
InChIKeyQVRKDLOCULLTBD-UHFFFAOYSA-N
XLogP4.60
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.49
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-trimethylsilyldodecane-2,5-dione 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

2,5-Undecanedione
CID 81489
Nonan-2,5-dione
CID 11126503
2,5-Decanedione
CID 11030272
Octyl trimethylsilyl ketone
CID 3538356
Tetradecane-6,9-dione
CID 12672728
Dodecane-2,5-dione
CID 12388035
Undecane-3,6-dione
CID 13264813
1-(Trimethylsilyl)undec-1-yn-3-one
CID 14798469
5,8-Pentadecadione
CID 6420837
Undecanoyl-trimethylsilane
CID 13601208
1-Trimethylsilyldecan-1-one
CID 11790984
2,5,8-Decanetrione
CID 12032450

Frequently Asked Questions

What is the IUPAC name of 1-trimethylsilyldodecane-2,5-dione?
The IUPAC name of 1-trimethylsilyldodecane-2,5-dione (CID 134987671) is 1-trimethylsilyldodecane-2,5-dione.
What is the SMILES notation for 1-trimethylsilyldodecane-2,5-dione?
The canonical SMILES for 1-trimethylsilyldodecane-2,5-dione is CCCCCCCC(=O)CCC(=O)C[Si](C)(C)C.
What is the InChIKey of 1-trimethylsilyldodecane-2,5-dione?
The InChIKey is QVRKDLOCULLTBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O2Si/c1-5-6-7-8-9-10-14(16)11-12-15(17)13-18(2,3)4/h5-13H2,1-4H3.
What are the key properties of 1-trimethylsilyldodecane-2,5-dione?
1-trimethylsilyldodecane-2,5-dione has a molecular weight of 270.49 g/mol, XLogP of 4.60, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-trimethylsilyldodecane-2,5-dione is sourced from PubChem (CID 134987671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).