(5-amino-2-ethoxypentan-2-yl) diethyl methyl silicate

C12H29NO5Si — CID 174781513

IUPAC(5-amino-2-ethoxypentan-2-yl) diethyl methyl silicate
SMILESCCOC(C)(CCCN)O[Si](OC)(OCC)OCC
InChIInChI=1S/C12H29NO5Si/c1-6-15-12(4,10-9-11-13)18-19(14-5,16-7-2)17-8-3/h6-11,13H2,1-5H3
InChIKeyXOWMTHFLRQTEBG-UHFFFAOYSA-N
MW295.45 g/mol
LogP1.65
Rot. Bonds12

About (5-amino-2-ethoxypentan-2-yl) diethyl methyl silicate

(5-amino-2-ethoxypentan-2-yl) diethyl methyl silicate (PubChem CID 174781513) has the molecular formula C12H29NO5Si and a molecular weight of 295.45 g/mol. Its IUPAC name is (5-amino-2-ethoxypentan-2-yl) diethyl methyl silicate.

Molecular Properties

Compound Name(5-amino-2-ethoxypentan-2-yl) diethyl methyl silicate
PubChem CID174781513
Molecular FormulaC12H29NO5Si
Molecular Weight295.45 g/mol
Exact Mass295.18
IUPAC Name(5-amino-2-ethoxypentan-2-yl) diethyl methyl silicate
SMILESCCOC(C)(CCCN)O[Si](OC)(OCC)OCC
InChIInChI=1S/C12H29NO5Si/c1-6-15-12(4,10-9-11-13)18-19(14-5,16-7-2)17-8-3/h6-11,13H2,1-5H3
InChIKeyXOWMTHFLRQTEBG-UHFFFAOYSA-N
XLogP1.65
TPSA72.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(5-amino-2-ethoxypentan-2-yl) triethyl silicate;oxolane
CID 174995931
(4-amino-1-ethoxy-1-trimethylsilylbutyl) diethyl methyl silicate
CID 174747966
(5-amino-2-ethoxypentan-2-yl) triethyl silicate;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 174933644
(4-amino-1-ethoxy-1-phenylbutyl) diethyl methyl silicate
CID 174858587
(5-amino-1,1,2-triethoxypentan-2-yl) triethyl silicate
CID 174953555
3-[2-aminoethyl-methoxy-(triethoxymethoxy)silyl]propan-1-amine
CID 151310338
3-[diethoxy(methyl)silyl]propan-1-amine;tetramethyl silicate
CID 160657571
(1-amino-4-ethoxydecan-4-yl) diethyl heptyl silicate
CID 174933385
[3-aminopropyl(diethoxy)silyl] triethyl silicate
CID 22065708
(1-amino-4-ethoxyheptan-4-yl) (dimethylamino)methyl diethyl silicate
CID 174767471
4-aminobutyl triethyl silicate
CID 140519735
2,2,5,5-tetraethoxyhexane
CID 42611383

Frequently Asked Questions

What is the IUPAC name of (5-amino-2-ethoxypentan-2-yl) diethyl methyl silicate?
The IUPAC name of (5-amino-2-ethoxypentan-2-yl) diethyl methyl silicate (CID 174781513) is (5-amino-2-ethoxypentan-2-yl) diethyl methyl silicate.
What is the SMILES notation for (5-amino-2-ethoxypentan-2-yl) diethyl methyl silicate?
The canonical SMILES for (5-amino-2-ethoxypentan-2-yl) diethyl methyl silicate is CCOC(C)(CCCN)O[Si](OC)(OCC)OCC.
What is the InChIKey of (5-amino-2-ethoxypentan-2-yl) diethyl methyl silicate?
The InChIKey is XOWMTHFLRQTEBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H29NO5Si/c1-6-15-12(4,10-9-11-13)18-19(14-5,16-7-2)17-8-3/h6-11,13H2,1-5H3.
What are the key properties of (5-amino-2-ethoxypentan-2-yl) diethyl methyl silicate?
(5-amino-2-ethoxypentan-2-yl) diethyl methyl silicate has a molecular weight of 295.45 g/mol, XLogP of 1.65, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2-ethoxypentan-2-yl) diethyl methyl silicate is sourced from PubChem (CID 174781513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).