2-oxododecyl 2-trimethylsilylacetate

C17H34O3Si — CID 135064974

IUPAC2-oxododecyl 2-trimethylsilylacetate
SMILESCCCCCCCCCCC(=O)COC(=O)C[Si](C)(C)C
InChIInChI=1S/C17H34O3Si/c1-5-6-7-8-9-10-11-12-13-16(18)14-20-17(19)15-21(2,3)4/h5-15H2,1-4H3
InChIKeyPHYLQWAXQPOJQP-UHFFFAOYSA-N
MW314.54 g/mol
LogP4.97
Rot. Bonds13

About 2-oxododecyl 2-trimethylsilylacetate

2-oxododecyl 2-trimethylsilylacetate (PubChem CID 135064974) has the molecular formula C17H34O3Si and a molecular weight of 314.54 g/mol. Its IUPAC name is 2-oxododecyl 2-trimethylsilylacetate.

Molecular Properties

Compound Name2-oxododecyl 2-trimethylsilylacetate
PubChem CID135064974
Molecular FormulaC17H34O3Si
Molecular Weight314.54 g/mol
Exact Mass314.23
IUPAC Name2-oxododecyl 2-trimethylsilylacetate
SMILESCCCCCCCCCCC(=O)COC(=O)C[Si](C)(C)C
InChIInChI=1S/C17H34O3Si/c1-5-6-7-8-9-10-11-12-13-16(18)14-20-17(19)15-21(2,3)4/h5-15H2,1-4H3
InChIKeyPHYLQWAXQPOJQP-UHFFFAOYSA-N
XLogP4.97
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.54
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-oxododecyl 2-trimethylsilylacetate 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

Methyl 2-oxooctadecanoate
CID 620002
2-Oxodecyl acetate
CID 13261337
Hexadecanoic acid, 2-oxo-, methyl ester
CID 545549
alpha-Ketostearic acid, ethyl ester
CID 619996
Ethyl 2-oxooctanoate
CID 10888659
Acetonyl laurate
CID 13814966
Ethyl nonadecanonoate
CID 9819338
Methyl heptadeconoate
CID 10494340
Ethyl 2-oxoundecanoate
CID 11218442
2-Undecanone, 1-(acetyloxy)-
CID 11514131
Ethyl 2-oxononanoate
CID 12442597
Ethyl 2-oxodecanoate
CID 12750087

Frequently Asked Questions

What is the IUPAC name of 2-oxododecyl 2-trimethylsilylacetate?
The IUPAC name of 2-oxododecyl 2-trimethylsilylacetate (CID 135064974) is 2-oxododecyl 2-trimethylsilylacetate.
What is the SMILES notation for 2-oxododecyl 2-trimethylsilylacetate?
The canonical SMILES for 2-oxododecyl 2-trimethylsilylacetate is CCCCCCCCCCC(=O)COC(=O)C[Si](C)(C)C.
What is the InChIKey of 2-oxododecyl 2-trimethylsilylacetate?
The InChIKey is PHYLQWAXQPOJQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O3Si/c1-5-6-7-8-9-10-11-12-13-16(18)14-20-17(19)15-21(2,3)4/h5-15H2,1-4H3.
What are the key properties of 2-oxododecyl 2-trimethylsilylacetate?
2-oxododecyl 2-trimethylsilylacetate has a molecular weight of 314.54 g/mol, XLogP of 4.97, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxododecyl 2-trimethylsilylacetate is sourced from PubChem (CID 135064974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).