2-trimethylsilylethyl 3,10-dioxoundecanoate

C16H30O4Si — CID 102409566

IUPAC2-trimethylsilylethyl 3,10-dioxoundecanoate
SMILESCC(=O)CCCCCCC(=O)CC(=O)OCC[Si](C)(C)C
InChIInChI=1S/C16H30O4Si/c1-14(17)9-7-5-6-8-10-15(18)13-16(19)20-11-12-21(2,3)4/h5-13H2,1-4H3
InChIKeyZSFXBAAHLCNKRE-UHFFFAOYSA-N
MW314.50 g/mol
LogP3.76
Rot. Bonds12

About 2-trimethylsilylethyl 3,10-dioxoundecanoate

2-trimethylsilylethyl 3,10-dioxoundecanoate (PubChem CID 102409566) has the molecular formula C16H30O4Si and a molecular weight of 314.50 g/mol. Its IUPAC name is 2-trimethylsilylethyl 3,10-dioxoundecanoate.

Molecular Properties

Compound Name2-trimethylsilylethyl 3,10-dioxoundecanoate
PubChem CID102409566
Molecular FormulaC16H30O4Si
Molecular Weight314.50 g/mol
Exact Mass314.19
IUPAC Name2-trimethylsilylethyl 3,10-dioxoundecanoate
SMILESCC(=O)CCCCCCC(=O)CC(=O)OCC[Si](C)(C)C
InChIInChI=1S/C16H30O4Si/c1-14(17)9-7-5-6-8-10-15(18)13-16(19)20-11-12-21(2,3)4/h5-13H2,1-4H3
InChIKeyZSFXBAAHLCNKRE-UHFFFAOYSA-N
XLogP3.76
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.50
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 2-trimethylsilylethyl 3,10-dioxoundecanoate 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

1-O-prop-2-enyl 12-O-(2-trimethylsilylethyl) 3,10-dioxododecanedioate
CID 102409570
2-trimethylsilylethyl heptanoate
CID 141105261
3-oxo-3-(9-oxodecoxy)propanoic acid
CID 175694835
butyl 3-oxodecanoate
CID 101282177
diethyl 3,16-dioxooctadecanedioate
CID 23533061
pentadecane-2,14-dione
CID 10966641
docosane-2,21-dione
CID 537416
butyl 10-oxoundecanoate
CID 123682866
[2-oxo-2-(2-trimethylsilylethoxy)ethyl]azaniumylideneazanide
CID 140747628
2-trimethylsilylethyl 5-oxopentanoate
CID 11127685
methyl 7-oxooctanoate
CID 539108
18-(3-oxobutanoyloxy)octadecyl 3-oxobutanoate
CID 174867872

Frequently Asked Questions

What is the IUPAC name of 2-trimethylsilylethyl 3,10-dioxoundecanoate?
The IUPAC name of 2-trimethylsilylethyl 3,10-dioxoundecanoate (CID 102409566) is 2-trimethylsilylethyl 3,10-dioxoundecanoate.
What is the SMILES notation for 2-trimethylsilylethyl 3,10-dioxoundecanoate?
The canonical SMILES for 2-trimethylsilylethyl 3,10-dioxoundecanoate is CC(=O)CCCCCCC(=O)CC(=O)OCC[Si](C)(C)C.
What is the InChIKey of 2-trimethylsilylethyl 3,10-dioxoundecanoate?
The InChIKey is ZSFXBAAHLCNKRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O4Si/c1-14(17)9-7-5-6-8-10-15(18)13-16(19)20-11-12-21(2,3)4/h5-13H2,1-4H3.
What are the key properties of 2-trimethylsilylethyl 3,10-dioxoundecanoate?
2-trimethylsilylethyl 3,10-dioxoundecanoate has a molecular weight of 314.50 g/mol, XLogP of 3.76, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilylethyl 3,10-dioxoundecanoate is sourced from PubChem (CID 102409566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).