2-[ethoxy-(2-hydroxyethoxy)-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxyethanol

C12H26O7Si — CID 87723371

IUPAC2-[ethoxy-(2-hydroxyethoxy)-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxyethanol
SMILESCCO[Si](CCCOCC1CO1)(OCCO)OCCO
InChIInChI=1S/C12H26O7Si/c1-2-17-20(18-7-4-13,19-8-5-14)9-3-6-15-10-12-11-16-12/h12-14H,2-11H2,1H3
InChIKeyYAQTYEGYAGVDQG-UHFFFAOYSA-N
MW310.42 g/mol
LogP-0.21
Rot. Bonds14

About 2-[ethoxy-(2-hydroxyethoxy)-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxyethanol

2-[ethoxy-(2-hydroxyethoxy)-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxyethanol (PubChem CID 87723371) has the molecular formula C12H26O7Si and a molecular weight of 310.42 g/mol. Its IUPAC name is 2-[ethoxy-(2-hydroxyethoxy)-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxyethanol.

Molecular Properties

Compound Name2-[ethoxy-(2-hydroxyethoxy)-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxyethanol
PubChem CID87723371
Molecular FormulaC12H26O7Si
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name2-[ethoxy-(2-hydroxyethoxy)-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxyethanol
SMILESCCO[Si](CCCOCC1CO1)(OCCO)OCCO
InChIInChI=1S/C12H26O7Si/c1-2-17-20(18-7-4-13,19-8-5-14)9-3-6-15-10-12-11-16-12/h12-14H,2-11H2,1H3
InChIKeyYAQTYEGYAGVDQG-UHFFFAOYSA-N
XLogP-0.21
TPSA89.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 5-0.21
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'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-[2-hydroxyethoxy-methoxy-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxyethanol
CID 87722976
propane-1,2,3-triol;triethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 174916618
propane-1-thiol;triethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 174889951
diethoxy-methyl-[1-(oxiran-2-ylmethoxy)propyl]silane;triethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 87666631
propyl 2-methylprop-2-enoate;triethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 174676531
silane;triethoxy-[3-(oxiran-2-ylmethylperoxy)propyl]silane
CID 173126681
2-(oxiran-2-ylmethoxymethyl)oxirane;silane;3-triethoxysilylpropan-1-amine
CID 174864417
triethoxy-[3-[3-[3-(oxiran-2-ylmethoxy)propyl]imidazolidin-1-yl]propyl]silane
CID 140960756
butan-2-one;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 174775957
ethyl N-[3-(oxiran-2-ylmethoxy)propyl]-N-(3-triethoxysilylpropyl)carbamate
CID 87376447
ethoxysilane;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 161088311
triethoxy-[3-(oxetan-3-ylmethoxy)propyl]silane
CID 11346874

Frequently Asked Questions

What is the IUPAC name of 2-[ethoxy-(2-hydroxyethoxy)-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxyethanol?
The IUPAC name of 2-[ethoxy-(2-hydroxyethoxy)-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxyethanol (CID 87723371) is 2-[ethoxy-(2-hydroxyethoxy)-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxyethanol.
What is the SMILES notation for 2-[ethoxy-(2-hydroxyethoxy)-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxyethanol?
The canonical SMILES for 2-[ethoxy-(2-hydroxyethoxy)-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxyethanol is CCO[Si](CCCOCC1CO1)(OCCO)OCCO.
What is the InChIKey of 2-[ethoxy-(2-hydroxyethoxy)-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxyethanol?
The InChIKey is YAQTYEGYAGVDQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O7Si/c1-2-17-20(18-7-4-13,19-8-5-14)9-3-6-15-10-12-11-16-12/h12-14H,2-11H2,1H3.
What are the key properties of 2-[ethoxy-(2-hydroxyethoxy)-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxyethanol?
2-[ethoxy-(2-hydroxyethoxy)-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxyethanol has a molecular weight of 310.42 g/mol, XLogP of -0.21, 14 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethoxy-(2-hydroxyethoxy)-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxyethanol is sourced from PubChem (CID 87723371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).