triethoxysilyl 3-(oxiran-2-ylmethoxy)propanoate

C12H24O7Si — CID 151545225

IUPACtriethoxysilyl 3-(oxiran-2-ylmethoxy)propanoate
SMILESCCO[Si](OCC)(OCC)OC(=O)CCOCC1CO1
InChIInChI=1S/C12H24O7Si/c1-4-16-20(17-5-2,18-6-3)19-12(13)7-8-14-9-11-10-15-11/h11H,4-10H2,1-3H3
InChIKeyPZHVYHQWFFMGPF-UHFFFAOYSA-N
MW308.40 g/mol
LogP0.88
Rot. Bonds12

About triethoxysilyl 3-(oxiran-2-ylmethoxy)propanoate

triethoxysilyl 3-(oxiran-2-ylmethoxy)propanoate (PubChem CID 151545225) has the molecular formula C12H24O7Si and a molecular weight of 308.40 g/mol. Its IUPAC name is triethoxysilyl 3-(oxiran-2-ylmethoxy)propanoate.

Molecular Properties

Compound Nametriethoxysilyl 3-(oxiran-2-ylmethoxy)propanoate
PubChem CID151545225
Molecular FormulaC12H24O7Si
Molecular Weight308.40 g/mol
Exact Mass308.13
IUPAC Nametriethoxysilyl 3-(oxiran-2-ylmethoxy)propanoate
SMILESCCO[Si](OCC)(OCC)OC(=O)CCOCC1CO1
InChIInChI=1S/C12H24O7Si/c1-4-16-20(17-5-2,18-6-3)19-12(13)7-8-14-9-11-10-15-11/h11H,4-10H2,1-3H3
InChIKeyPZHVYHQWFFMGPF-UHFFFAOYSA-N
XLogP0.88
TPSA75.75 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of triethoxysilyl 3-(oxiran-2-ylmethoxy)propanoate?
The IUPAC name of triethoxysilyl 3-(oxiran-2-ylmethoxy)propanoate (CID 151545225) is triethoxysilyl 3-(oxiran-2-ylmethoxy)propanoate.
What is the SMILES notation for triethoxysilyl 3-(oxiran-2-ylmethoxy)propanoate?
The canonical SMILES for triethoxysilyl 3-(oxiran-2-ylmethoxy)propanoate is CCO[Si](OCC)(OCC)OC(=O)CCOCC1CO1.
What is the InChIKey of triethoxysilyl 3-(oxiran-2-ylmethoxy)propanoate?
The InChIKey is PZHVYHQWFFMGPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O7Si/c1-4-16-20(17-5-2,18-6-3)19-12(13)7-8-14-9-11-10-15-11/h11H,4-10H2,1-3H3.
What are the key properties of triethoxysilyl 3-(oxiran-2-ylmethoxy)propanoate?
triethoxysilyl 3-(oxiran-2-ylmethoxy)propanoate has a molecular weight of 308.40 g/mol, XLogP of 0.88, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxysilyl 3-(oxiran-2-ylmethoxy)propanoate is sourced from PubChem (CID 151545225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).