2-trimethylsilylethyl 3-hydroxy-10,10-dimethoxydecanoate

C17H36O5Si — CID 134974912

IUPAC2-trimethylsilylethyl 3-hydroxy-10,10-dimethoxydecanoate
SMILESCOC(CCCCCCC(O)CC(=O)OCC[Si](C)(C)C)OC
InChIInChI=1S/C17H36O5Si/c1-20-17(21-2)11-9-7-6-8-10-15(18)14-16(19)22-12-13-23(3,4)5/h15,17-18H,6-14H2,1-5H3
InChIKeyCISLYSZGWYDPCG-UHFFFAOYSA-N
MW348.56 g/mol
LogP3.58
Rot. Bonds14

About 2-trimethylsilylethyl 3-hydroxy-10,10-dimethoxydecanoate

2-trimethylsilylethyl 3-hydroxy-10,10-dimethoxydecanoate (PubChem CID 134974912) has the molecular formula C17H36O5Si and a molecular weight of 348.56 g/mol. Its IUPAC name is 2-trimethylsilylethyl 3-hydroxy-10,10-dimethoxydecanoate.

Molecular Properties

Compound Name2-trimethylsilylethyl 3-hydroxy-10,10-dimethoxydecanoate
PubChem CID134974912
Molecular FormulaC17H36O5Si
Molecular Weight348.56 g/mol
Exact Mass348.23
IUPAC Name2-trimethylsilylethyl 3-hydroxy-10,10-dimethoxydecanoate
SMILESCOC(CCCCCCC(O)CC(=O)OCC[Si](C)(C)C)OC
InChIInChI=1S/C17H36O5Si/c1-20-17(21-2)11-9-7-6-8-10-15(18)14-16(19)22-12-13-23(3,4)5/h15,17-18H,6-14H2,1-5H3
InChIKeyCISLYSZGWYDPCG-UHFFFAOYSA-N
XLogP3.58
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.56
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-trimethylsilylethyl 3-hydroxy-10,10-dimethoxydecanoate?
The IUPAC name of 2-trimethylsilylethyl 3-hydroxy-10,10-dimethoxydecanoate (CID 134974912) is 2-trimethylsilylethyl 3-hydroxy-10,10-dimethoxydecanoate.
What is the SMILES notation for 2-trimethylsilylethyl 3-hydroxy-10,10-dimethoxydecanoate?
The canonical SMILES for 2-trimethylsilylethyl 3-hydroxy-10,10-dimethoxydecanoate is COC(CCCCCCC(O)CC(=O)OCC[Si](C)(C)C)OC.
What is the InChIKey of 2-trimethylsilylethyl 3-hydroxy-10,10-dimethoxydecanoate?
The InChIKey is CISLYSZGWYDPCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36O5Si/c1-20-17(21-2)11-9-7-6-8-10-15(18)14-16(19)22-12-13-23(3,4)5/h15,17-18H,6-14H2,1-5H3.
What are the key properties of 2-trimethylsilylethyl 3-hydroxy-10,10-dimethoxydecanoate?
2-trimethylsilylethyl 3-hydroxy-10,10-dimethoxydecanoate has a molecular weight of 348.56 g/mol, XLogP of 3.58, 14 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilylethyl 3-hydroxy-10,10-dimethoxydecanoate is sourced from PubChem (CID 134974912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).