3-(3-triethoxysilylpropoxymethyl)oxolane-2,5-dione

C14H26O7Si — CID 142624035

IUPAC3-(3-triethoxysilylpropoxymethyl)oxolane-2,5-dione
SMILESCCO[Si](CCCOCC1CC(=O)OC1=O)(OCC)OCC
InChIInChI=1S/C14H26O7Si/c1-4-18-22(19-5-2,20-6-3)9-7-8-17-11-12-10-13(15)21-14(12)16/h12H,4-11H2,1-3H3
InChIKeySYRLXJGRVSKVRW-UHFFFAOYSA-N
MW334.44 g/mol
LogP1.53
Rot. Bonds12

About 3-(3-triethoxysilylpropoxymethyl)oxolane-2,5-dione

3-(3-triethoxysilylpropoxymethyl)oxolane-2,5-dione (PubChem CID 142624035) has the molecular formula C14H26O7Si and a molecular weight of 334.44 g/mol. Its IUPAC name is 3-(3-triethoxysilylpropoxymethyl)oxolane-2,5-dione.

Molecular Properties

Compound Name3-(3-triethoxysilylpropoxymethyl)oxolane-2,5-dione
PubChem CID142624035
Molecular FormulaC14H26O7Si
Molecular Weight334.44 g/mol
Exact Mass334.14
IUPAC Name3-(3-triethoxysilylpropoxymethyl)oxolane-2,5-dione
SMILESCCO[Si](CCCOCC1CC(=O)OC1=O)(OCC)OCC
InChIInChI=1S/C14H26O7Si/c1-4-18-22(19-5-2,20-6-3)9-7-8-17-11-12-10-13(15)21-14(12)16/h12H,4-11H2,1-3H3
InChIKeySYRLXJGRVSKVRW-UHFFFAOYSA-N
XLogP1.53
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

3-(3-tripropoxysilylpropyl)oxolane-2,5-dione
CID 152641894
3-[3-[diethoxy(methyl)silyl]propyl]oxolane-2,5-dione
CID 23116723
triethoxy-[3-(oxetan-3-ylmethoxy)propyl]silane
CID 11346874
triethoxy-[3-(3-triethoxysilylpropoxy)propyl]silane
CID 22616805
triethoxy-[3-(thiiran-2-ylmethoxy)propyl]silane
CID 90110573
triethoxy-[3-[2-(3-triethoxysilylpropoxy)ethoxy]propyl]silane
CID 90147860
propane-1-thiol;triethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 174889951
2-[ethoxy-(2-hydroxyethoxy)-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxyethanol
CID 87723371
3-[4-[ethoxy(dimethyl)silyl]but-2-enyl]oxolane-2,5-dione
CID 123308468
propane-1,2,3-triol;triethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 174916618
3-(2-pent-4-enoxyethyl)oxolane-2,5-dione
CID 58444624
3-[3-[dimethylsilyloxy(dimethyl)silyl]propyl]oxolane-2,5-dione
CID 140795995

Frequently Asked Questions

What is the IUPAC name of 3-(3-triethoxysilylpropoxymethyl)oxolane-2,5-dione?
The IUPAC name of 3-(3-triethoxysilylpropoxymethyl)oxolane-2,5-dione (CID 142624035) is 3-(3-triethoxysilylpropoxymethyl)oxolane-2,5-dione.
What is the SMILES notation for 3-(3-triethoxysilylpropoxymethyl)oxolane-2,5-dione?
The canonical SMILES for 3-(3-triethoxysilylpropoxymethyl)oxolane-2,5-dione is CCO[Si](CCCOCC1CC(=O)OC1=O)(OCC)OCC.
What is the InChIKey of 3-(3-triethoxysilylpropoxymethyl)oxolane-2,5-dione?
The InChIKey is SYRLXJGRVSKVRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O7Si/c1-4-18-22(19-5-2,20-6-3)9-7-8-17-11-12-10-13(15)21-14(12)16/h12H,4-11H2,1-3H3.
What are the key properties of 3-(3-triethoxysilylpropoxymethyl)oxolane-2,5-dione?
3-(3-triethoxysilylpropoxymethyl)oxolane-2,5-dione has a molecular weight of 334.44 g/mol, XLogP of 1.53, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-triethoxysilylpropoxymethyl)oxolane-2,5-dione is sourced from PubChem (CID 142624035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).