(5-amino-2-ethoxypentan-2-yl) triethyl silicate;2-(oxiran-2-ylmethoxymethyl)oxirane

C19H41NO8Si — CID 174933644

IUPAC(5-amino-2-ethoxypentan-2-yl) triethyl silicate;2-(oxiran-2-ylmethoxymethyl)oxirane
SMILESC(OCC1CO1)C1CO1.CCOC(C)(CCCN)O[Si](OCC)(OCC)OCC
InChIInChI=1S/C13H31NO5Si.C6H10O3/c1-6-15-13(5,11-10-12-14)19-20(16-7-2,17-8-3)18-9-4;1(5-3-8-5)7-2-6-4-9-6/h6-12,14H2,1-5H3;5-6H,1-4H2
InChIKeyJALLTIBINGEYED-UHFFFAOYSA-N
MW439.62 g/mol
LogP1.84
Rot. Bonds17

About (5-amino-2-ethoxypentan-2-yl) triethyl silicate;2-(oxiran-2-ylmethoxymethyl)oxirane

(5-amino-2-ethoxypentan-2-yl) triethyl silicate;2-(oxiran-2-ylmethoxymethyl)oxirane (PubChem CID 174933644) has the molecular formula C19H41NO8Si and a molecular weight of 439.62 g/mol. Its IUPAC name is (5-amino-2-ethoxypentan-2-yl) triethyl silicate;2-(oxiran-2-ylmethoxymethyl)oxirane.

Molecular Properties

Compound Name(5-amino-2-ethoxypentan-2-yl) triethyl silicate;2-(oxiran-2-ylmethoxymethyl)oxirane
PubChem CID174933644
Molecular FormulaC19H41NO8Si
Molecular Weight439.62 g/mol
Exact Mass439.26
IUPAC Name(5-amino-2-ethoxypentan-2-yl) triethyl silicate;2-(oxiran-2-ylmethoxymethyl)oxirane
SMILESC(OCC1CO1)C1CO1.CCOC(C)(CCCN)O[Si](OCC)(OCC)OCC
InChIInChI=1S/C13H31NO5Si.C6H10O3/c1-6-15-13(5,11-10-12-14)19-20(16-7-2,17-8-3)18-9-4;1(5-3-8-5)7-2-6-4-9-6/h6-12,14H2,1-5H3;5-6H,1-4H2
InChIKeyJALLTIBINGEYED-UHFFFAOYSA-N
XLogP1.84
TPSA106.46 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds17
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.62
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

(5-amino-2-ethoxypentan-2-yl) triethyl silicate;oxolane
CID 174995931
(5-amino-2-ethoxypentan-2-yl) diethyl methyl silicate
CID 174781513
2-(oxiran-2-ylmethoxymethyl)oxirane;silane;3-triethoxysilylpropan-1-amine
CID 174864417
diethoxy(dimethyl)silane;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 158655964
hexane-1,6-diamine;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 175215443
4-(oxiran-2-ylmethoxy)-3-(oxiran-2-ylmethoxymethyl)-3-triethoxysilylbutan-1-amine
CID 175533703
diethyl methyl 3-(oxiran-2-ylmethoxy)propyl silicate
CID 175592610
(5-amino-1,1,2-triethoxypentan-2-yl) triethyl silicate
CID 174953555
propane-1-thiol;triethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 174889951
(4-amino-1-ethoxy-1-trimethylsilylbutyl) diethyl methyl silicate
CID 174747966
1,1-dimethoxyethoxy-methoxy-[4-(oxiran-2-ylmethoxy)butoxy]-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 150839011
(1-amino-4-ethoxydecan-4-yl) diethyl heptyl silicate
CID 174933385

Frequently Asked Questions

What is the IUPAC name of (5-amino-2-ethoxypentan-2-yl) triethyl silicate;2-(oxiran-2-ylmethoxymethyl)oxirane?
The IUPAC name of (5-amino-2-ethoxypentan-2-yl) triethyl silicate;2-(oxiran-2-ylmethoxymethyl)oxirane (CID 174933644) is (5-amino-2-ethoxypentan-2-yl) triethyl silicate;2-(oxiran-2-ylmethoxymethyl)oxirane.
What is the SMILES notation for (5-amino-2-ethoxypentan-2-yl) triethyl silicate;2-(oxiran-2-ylmethoxymethyl)oxirane?
The canonical SMILES for (5-amino-2-ethoxypentan-2-yl) triethyl silicate;2-(oxiran-2-ylmethoxymethyl)oxirane is C(OCC1CO1)C1CO1.CCOC(C)(CCCN)O[Si](OCC)(OCC)OCC.
What is the InChIKey of (5-amino-2-ethoxypentan-2-yl) triethyl silicate;2-(oxiran-2-ylmethoxymethyl)oxirane?
The InChIKey is JALLTIBINGEYED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H31NO5Si.C6H10O3/c1-6-15-13(5,11-10-12-14)19-20(16-7-2,17-8-3)18-9-4;1(5-3-8-5)7-2-6-4-9-6/h6-12,14H2,1-5H3;5-6H,1-4H2.
What are the key properties of (5-amino-2-ethoxypentan-2-yl) triethyl silicate;2-(oxiran-2-ylmethoxymethyl)oxirane?
(5-amino-2-ethoxypentan-2-yl) triethyl silicate;2-(oxiran-2-ylmethoxymethyl)oxirane has a molecular weight of 439.62 g/mol, XLogP of 1.84, 17 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2-ethoxypentan-2-yl) triethyl silicate;2-(oxiran-2-ylmethoxymethyl)oxirane is sourced from PubChem (CID 174933644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).