1-(oxiran-2-ylmethoxy)-3-triethoxysilylpropan-2-amine

C12H27NO5Si — CID 141352080

IUPAC1-(oxiran-2-ylmethoxy)-3-triethoxysilylpropan-2-amine
SMILESCCO[Si](CC(N)COCC1CO1)(OCC)OCC
InChIInChI=1S/C12H27NO5Si/c1-4-16-19(17-5-2,18-6-3)10-11(13)7-14-8-12-9-15-12/h11-12H,4-10,13H2,1-3H3
InChIKeyWBPOFTHITRJCQN-UHFFFAOYSA-N
MW293.44 g/mol
LogP0.78
Rot. Bonds12

About 1-(oxiran-2-ylmethoxy)-3-triethoxysilylpropan-2-amine

1-(oxiran-2-ylmethoxy)-3-triethoxysilylpropan-2-amine (PubChem CID 141352080) has the molecular formula C12H27NO5Si and a molecular weight of 293.44 g/mol. Its IUPAC name is 1-(oxiran-2-ylmethoxy)-3-triethoxysilylpropan-2-amine.

Molecular Properties

Compound Name1-(oxiran-2-ylmethoxy)-3-triethoxysilylpropan-2-amine
PubChem CID141352080
Molecular FormulaC12H27NO5Si
Molecular Weight293.44 g/mol
Exact Mass293.17
IUPAC Name1-(oxiran-2-ylmethoxy)-3-triethoxysilylpropan-2-amine
SMILESCCO[Si](CC(N)COCC1CO1)(OCC)OCC
InChIInChI=1S/C12H27NO5Si/c1-4-16-19(17-5-2,18-6-3)10-11(13)7-14-8-12-9-15-12/h11-12H,4-10,13H2,1-3H3
InChIKeyWBPOFTHITRJCQN-UHFFFAOYSA-N
XLogP0.78
TPSA75.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

diethoxy(dimethyl)silane;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 158655964
2-(oxiran-2-ylmethoxymethyl)oxirane;silane;3-triethoxysilylpropan-1-amine
CID 174864417
triethoxy(oxiran-2-ylmethoxymethyl)silane;trimethoxy(oxiran-2-ylmethoxymethyl)silane
CID 87862133
ethoxysilane;triethoxy-[2-(oxiran-2-ylmethoxy)propyl]silane
CID 160854237
triethoxy-[2-(oxiran-2-ylmethoxy)pent-3-enyl]silane
CID 154062900
ethoxy-methyl-(oxiran-2-ylmethoxymethyl)-propan-2-yloxysilane
CID 175008742
1-[diethoxy(methyl)silyl]propan-1-ol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 174766123
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
2-[ethoxy-(2-hydroxyethoxy)-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxyethanol
CID 87723371
(2S)-2-[[(2S)-2-[(2R)-1-[[(2S)-oxiran-2-yl]methoxy]propan-2-yl]oxypropoxy]methyl]oxirane
CID 97031068
diethoxy-(oxiran-2-ylmethoxymethyl)-propylsilane
CID 175268812

Frequently Asked Questions

What is the IUPAC name of 1-(oxiran-2-ylmethoxy)-3-triethoxysilylpropan-2-amine?
The IUPAC name of 1-(oxiran-2-ylmethoxy)-3-triethoxysilylpropan-2-amine (CID 141352080) is 1-(oxiran-2-ylmethoxy)-3-triethoxysilylpropan-2-amine.
What is the SMILES notation for 1-(oxiran-2-ylmethoxy)-3-triethoxysilylpropan-2-amine?
The canonical SMILES for 1-(oxiran-2-ylmethoxy)-3-triethoxysilylpropan-2-amine is CCO[Si](CC(N)COCC1CO1)(OCC)OCC.
What is the InChIKey of 1-(oxiran-2-ylmethoxy)-3-triethoxysilylpropan-2-amine?
The InChIKey is WBPOFTHITRJCQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO5Si/c1-4-16-19(17-5-2,18-6-3)10-11(13)7-14-8-12-9-15-12/h11-12H,4-10,13H2,1-3H3.
What are the key properties of 1-(oxiran-2-ylmethoxy)-3-triethoxysilylpropan-2-amine?
1-(oxiran-2-ylmethoxy)-3-triethoxysilylpropan-2-amine has a molecular weight of 293.44 g/mol, XLogP of 0.78, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxiran-2-ylmethoxy)-3-triethoxysilylpropan-2-amine is sourced from PubChem (CID 141352080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).