2,3-dihydroxypropyl 5-triethoxysilylpentanoate

C14H30O7Si — CID 58321069

IUPAC2,3-dihydroxypropyl 5-triethoxysilylpentanoate
SMILESCCO[Si](CCCCC(=O)OCC(O)CO)(OCC)OCC
InChIInChI=1S/C14H30O7Si/c1-4-19-22(20-5-2,21-6-3)10-8-7-9-14(17)18-12-13(16)11-15/h13,15-16H,4-12H2,1-3H3
InChIKeyXTXINGPGXAWVRD-UHFFFAOYSA-N
MW338.47 g/mol
LogP1.10
Rot. Bonds14

About 2,3-dihydroxypropyl 5-triethoxysilylpentanoate

2,3-dihydroxypropyl 5-triethoxysilylpentanoate (PubChem CID 58321069) has the molecular formula C14H30O7Si and a molecular weight of 338.47 g/mol. Its IUPAC name is 2,3-dihydroxypropyl 5-triethoxysilylpentanoate.

Molecular Properties

Compound Name2,3-dihydroxypropyl 5-triethoxysilylpentanoate
PubChem CID58321069
Molecular FormulaC14H30O7Si
Molecular Weight338.47 g/mol
Exact Mass338.18
IUPAC Name2,3-dihydroxypropyl 5-triethoxysilylpentanoate
SMILESCCO[Si](CCCCC(=O)OCC(O)CO)(OCC)OCC
InChIInChI=1S/C14H30O7Si/c1-4-19-22(20-5-2,21-6-3)10-8-7-9-14(17)18-12-13(16)11-15/h13,15-16H,4-12H2,1-3H3
InChIKeyXTXINGPGXAWVRD-UHFFFAOYSA-N
XLogP1.10
TPSA94.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

bis(2,3-dihydroxypropyl) icosanedioate
CID 14631093
2,3-dihydroxypropyl tetracosanoate
CID 14542801
2,3-dihydroxypropyl octadecanoate
CID 159321215
[(2S)-2,3-dihydroxypropyl] nonanoate
CID 70789772
2,3-dihydroxypropyl hexadecanoate;2,3-dihydroxypropyl octadecanoate
CID 24698
[(2R)-2,3-dihydroxypropyl] octanoate;ethane
CID 71627387
2,3-dihydroxypropyl octadecanoate;zinc
CID 87251976
2,3-dihydroxypropyl dodecanoate;ethanol
CID 158629488
2,3-dihydroxypropyl octadecanoate;polane
CID 173093514
2,3-dihydroxypropyl nonanoate;ethoxyethane
CID 87991117
2,3-dihydroxypropyl octanoate;ethane-1,2-diol
CID 175177364
2,3-dihydroxypropyl octadecanoate;ethane-1,2-diol
CID 87139616

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxypropyl 5-triethoxysilylpentanoate?
The IUPAC name of 2,3-dihydroxypropyl 5-triethoxysilylpentanoate (CID 58321069) is 2,3-dihydroxypropyl 5-triethoxysilylpentanoate.
What is the SMILES notation for 2,3-dihydroxypropyl 5-triethoxysilylpentanoate?
The canonical SMILES for 2,3-dihydroxypropyl 5-triethoxysilylpentanoate is CCO[Si](CCCCC(=O)OCC(O)CO)(OCC)OCC.
What is the InChIKey of 2,3-dihydroxypropyl 5-triethoxysilylpentanoate?
The InChIKey is XTXINGPGXAWVRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O7Si/c1-4-19-22(20-5-2,21-6-3)10-8-7-9-14(17)18-12-13(16)11-15/h13,15-16H,4-12H2,1-3H3.
What are the key properties of 2,3-dihydroxypropyl 5-triethoxysilylpentanoate?
2,3-dihydroxypropyl 5-triethoxysilylpentanoate has a molecular weight of 338.47 g/mol, XLogP of 1.10, 14 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxypropyl 5-triethoxysilylpentanoate is sourced from PubChem (CID 58321069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).