4-(oxiran-2-ylmethoxy)-3-(oxiran-2-ylmethoxymethyl)-3-triethoxysilylbutan-1-amine

C17H35NO7Si — CID 175533703

IUPAC4-(oxiran-2-ylmethoxy)-3-(oxiran-2-ylmethoxymethyl)-3-triethoxysilylbutan-1-amine
SMILESCCO[Si](OCC)(OCC)C(CCN)(COCC1CO1)COCC1CO1
InChIInChI=1S/C17H35NO7Si/c1-4-23-26(24-5-2,25-6-3)17(7-8-18,13-19-9-15-11-21-15)14-20-10-16-12-22-16/h15-16H,4-14,18H2,1-3H3
InChIKeyAEYOQZXAWABUHQ-UHFFFAOYSA-N
MW393.55 g/mol
LogP0.95
Rot. Bonds17

About 4-(oxiran-2-ylmethoxy)-3-(oxiran-2-ylmethoxymethyl)-3-triethoxysilylbutan-1-amine

4-(oxiran-2-ylmethoxy)-3-(oxiran-2-ylmethoxymethyl)-3-triethoxysilylbutan-1-amine (PubChem CID 175533703) has the molecular formula C17H35NO7Si and a molecular weight of 393.55 g/mol. Its IUPAC name is 4-(oxiran-2-ylmethoxy)-3-(oxiran-2-ylmethoxymethyl)-3-triethoxysilylbutan-1-amine.

Molecular Properties

Compound Name4-(oxiran-2-ylmethoxy)-3-(oxiran-2-ylmethoxymethyl)-3-triethoxysilylbutan-1-amine
PubChem CID175533703
Molecular FormulaC17H35NO7Si
Molecular Weight393.55 g/mol
Exact Mass393.22
IUPAC Name4-(oxiran-2-ylmethoxy)-3-(oxiran-2-ylmethoxymethyl)-3-triethoxysilylbutan-1-amine
SMILESCCO[Si](OCC)(OCC)C(CCN)(COCC1CO1)COCC1CO1
InChIInChI=1S/C17H35NO7Si/c1-4-23-26(24-5-2,25-6-3)17(7-8-18,13-19-9-15-11-21-15)14-20-10-16-12-22-16/h15-16H,4-14,18H2,1-3H3
InChIKeyAEYOQZXAWABUHQ-UHFFFAOYSA-N
XLogP0.95
TPSA97.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.55
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-(oxiran-2-ylmethoxymethyl)oxirane;silane;3-triethoxysilylpropan-1-amine
CID 174864417
3-ethyl-3-triethoxysilylpentan-1-amine
CID 23083469
diethoxy(dimethyl)silane;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 158655964
(5-amino-2-ethoxypentan-2-yl) triethyl silicate;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 174933644
2-[ethoxy-(2-hydroxyethoxy)-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxyethanol
CID 87723371
1-(oxiran-2-ylmethoxy)-3-triethoxysilylpropan-2-amine
CID 141352080
diethoxy-(oxiran-2-ylmethoxymethyl)-propylsilane
CID 175268812
diethoxy-ethyl-[2-(oxiran-2-ylmethoxy)ethyl]silane
CID 21432048
triethoxy(oxiran-2-ylmethoxymethyl)silane;trimethoxy(oxiran-2-ylmethoxymethyl)silane
CID 87862133
2,2-bis(oxiran-2-ylmethoxymethyl)butyl 3-aminopropanoate
CID 88951078
hexane-1,6-diamine;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 175215443
1-[diethoxy(methyl)silyl]propan-1-ol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 174766123

Frequently Asked Questions

What is the IUPAC name of 4-(oxiran-2-ylmethoxy)-3-(oxiran-2-ylmethoxymethyl)-3-triethoxysilylbutan-1-amine?
The IUPAC name of 4-(oxiran-2-ylmethoxy)-3-(oxiran-2-ylmethoxymethyl)-3-triethoxysilylbutan-1-amine (CID 175533703) is 4-(oxiran-2-ylmethoxy)-3-(oxiran-2-ylmethoxymethyl)-3-triethoxysilylbutan-1-amine.
What is the SMILES notation for 4-(oxiran-2-ylmethoxy)-3-(oxiran-2-ylmethoxymethyl)-3-triethoxysilylbutan-1-amine?
The canonical SMILES for 4-(oxiran-2-ylmethoxy)-3-(oxiran-2-ylmethoxymethyl)-3-triethoxysilylbutan-1-amine is CCO[Si](OCC)(OCC)C(CCN)(COCC1CO1)COCC1CO1.
What is the InChIKey of 4-(oxiran-2-ylmethoxy)-3-(oxiran-2-ylmethoxymethyl)-3-triethoxysilylbutan-1-amine?
The InChIKey is AEYOQZXAWABUHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO7Si/c1-4-23-26(24-5-2,25-6-3)17(7-8-18,13-19-9-15-11-21-15)14-20-10-16-12-22-16/h15-16H,4-14,18H2,1-3H3.
What are the key properties of 4-(oxiran-2-ylmethoxy)-3-(oxiran-2-ylmethoxymethyl)-3-triethoxysilylbutan-1-amine?
4-(oxiran-2-ylmethoxy)-3-(oxiran-2-ylmethoxymethyl)-3-triethoxysilylbutan-1-amine has a molecular weight of 393.55 g/mol, XLogP of 0.95, 17 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxiran-2-ylmethoxy)-3-(oxiran-2-ylmethoxymethyl)-3-triethoxysilylbutan-1-amine is sourced from PubChem (CID 175533703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).