3-[(2-acetyloxyethyl-butyl-methylsilyl)oxy-dimethylsilyl]propyl 2-hydroxypropanoate

C17H36O6Si2 — CID 89115863

IUPAC3-[(2-acetyloxyethyl-butyl-methylsilyl)oxy-dimethylsilyl]propyl 2-hydroxypropanoate
SMILESCCCC[Si](C)(CCOC(C)=O)O[Si](C)(C)CCCOC(=O)C(C)O
InChIInChI=1S/C17H36O6Si2/c1-7-8-13-25(6,14-11-21-16(3)19)23-24(4,5)12-9-10-22-17(20)15(2)18/h15,18H,7-14H2,1-6H3
InChIKeyFQDLPIDQFNDVBK-UHFFFAOYSA-N
MW392.64 g/mol
LogP3.46
Rot. Bonds13

About 3-[(2-acetyloxyethyl-butyl-methylsilyl)oxy-dimethylsilyl]propyl 2-hydroxypropanoate

3-[(2-acetyloxyethyl-butyl-methylsilyl)oxy-dimethylsilyl]propyl 2-hydroxypropanoate (PubChem CID 89115863) has the molecular formula C17H36O6Si2 and a molecular weight of 392.64 g/mol. Its IUPAC name is 3-[(2-acetyloxyethyl-butyl-methylsilyl)oxy-dimethylsilyl]propyl 2-hydroxypropanoate.

Molecular Properties

Compound Name3-[(2-acetyloxyethyl-butyl-methylsilyl)oxy-dimethylsilyl]propyl 2-hydroxypropanoate
PubChem CID89115863
Molecular FormulaC17H36O6Si2
Molecular Weight392.64 g/mol
Exact Mass392.21
IUPAC Name3-[(2-acetyloxyethyl-butyl-methylsilyl)oxy-dimethylsilyl]propyl 2-hydroxypropanoate
SMILESCCCC[Si](C)(CCOC(C)=O)O[Si](C)(C)CCCOC(=O)C(C)O
InChIInChI=1S/C17H36O6Si2/c1-7-8-13-25(6,14-11-21-16(3)19)23-24(4,5)12-9-10-22-17(20)15(2)18/h15,18H,7-14H2,1-6H3
InChIKeyFQDLPIDQFNDVBK-UHFFFAOYSA-N
XLogP3.46
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.64
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-acetyloxyethyl-butyl-methylsilyl)oxy-dimethylsilyl]propyl 2-hydroxypropanoate?
The IUPAC name of 3-[(2-acetyloxyethyl-butyl-methylsilyl)oxy-dimethylsilyl]propyl 2-hydroxypropanoate (CID 89115863) is 3-[(2-acetyloxyethyl-butyl-methylsilyl)oxy-dimethylsilyl]propyl 2-hydroxypropanoate.
What is the SMILES notation for 3-[(2-acetyloxyethyl-butyl-methylsilyl)oxy-dimethylsilyl]propyl 2-hydroxypropanoate?
The canonical SMILES for 3-[(2-acetyloxyethyl-butyl-methylsilyl)oxy-dimethylsilyl]propyl 2-hydroxypropanoate is CCCC[Si](C)(CCOC(C)=O)O[Si](C)(C)CCCOC(=O)C(C)O.
What is the InChIKey of 3-[(2-acetyloxyethyl-butyl-methylsilyl)oxy-dimethylsilyl]propyl 2-hydroxypropanoate?
The InChIKey is FQDLPIDQFNDVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36O6Si2/c1-7-8-13-25(6,14-11-21-16(3)19)23-24(4,5)12-9-10-22-17(20)15(2)18/h15,18H,7-14H2,1-6H3.
What are the key properties of 3-[(2-acetyloxyethyl-butyl-methylsilyl)oxy-dimethylsilyl]propyl 2-hydroxypropanoate?
3-[(2-acetyloxyethyl-butyl-methylsilyl)oxy-dimethylsilyl]propyl 2-hydroxypropanoate has a molecular weight of 392.64 g/mol, XLogP of 3.46, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-acetyloxyethyl-butyl-methylsilyl)oxy-dimethylsilyl]propyl 2-hydroxypropanoate is sourced from PubChem (CID 89115863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).