butyl 2-hydroxy-4-trimethylsilyloxyheptanoate

C14H30O4Si — CID 19922583

IUPACbutyl 2-hydroxy-4-trimethylsilyloxyheptanoate
SMILESCCCCOC(=O)C(O)CC(CCC)O[Si](C)(C)C
InChIInChI=1S/C14H30O4Si/c1-6-8-10-17-14(16)13(15)11-12(9-7-2)18-19(3,4)5/h12-13,15H,6-11H2,1-5H3
InChIKeyRUXDTFZAIYZJNH-UHFFFAOYSA-N
MW290.48 g/mol
LogP3.10
Rot. Bonds10

About butyl 2-hydroxy-4-trimethylsilyloxyheptanoate

butyl 2-hydroxy-4-trimethylsilyloxyheptanoate (PubChem CID 19922583) has the molecular formula C14H30O4Si and a molecular weight of 290.48 g/mol. Its IUPAC name is butyl 2-hydroxy-4-trimethylsilyloxyheptanoate.

Molecular Properties

Compound Namebutyl 2-hydroxy-4-trimethylsilyloxyheptanoate
PubChem CID19922583
Molecular FormulaC14H30O4Si
Molecular Weight290.48 g/mol
Exact Mass290.19
IUPAC Namebutyl 2-hydroxy-4-trimethylsilyloxyheptanoate
SMILESCCCCOC(=O)C(O)CC(CCC)O[Si](C)(C)C
InChIInChI=1S/C14H30O4Si/c1-6-8-10-17-14(16)13(15)11-12(9-7-2)18-19(3,4)5/h12-13,15H,6-11H2,1-5H3
InChIKeyRUXDTFZAIYZJNH-UHFFFAOYSA-N
XLogP3.10
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.48
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 butyl 2-hydroxy-4-trimethylsilyloxyheptanoate?
The IUPAC name of butyl 2-hydroxy-4-trimethylsilyloxyheptanoate (CID 19922583) is butyl 2-hydroxy-4-trimethylsilyloxyheptanoate.
What is the SMILES notation for butyl 2-hydroxy-4-trimethylsilyloxyheptanoate?
The canonical SMILES for butyl 2-hydroxy-4-trimethylsilyloxyheptanoate is CCCCOC(=O)C(O)CC(CCC)O[Si](C)(C)C.
What is the InChIKey of butyl 2-hydroxy-4-trimethylsilyloxyheptanoate?
The InChIKey is RUXDTFZAIYZJNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O4Si/c1-6-8-10-17-14(16)13(15)11-12(9-7-2)18-19(3,4)5/h12-13,15H,6-11H2,1-5H3.
What are the key properties of butyl 2-hydroxy-4-trimethylsilyloxyheptanoate?
butyl 2-hydroxy-4-trimethylsilyloxyheptanoate has a molecular weight of 290.48 g/mol, XLogP of 3.10, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-hydroxy-4-trimethylsilyloxyheptanoate is sourced from PubChem (CID 19922583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).