(4-amino-1-ethoxy-1-trimethylsilylbutyl) diethyl methyl silicate

C14H35NO5Si2 — CID 174747966

IUPAC(4-amino-1-ethoxy-1-trimethylsilylbutyl) diethyl methyl silicate
SMILESCCOC(CCCN)(O[Si](OC)(OCC)OCC)[Si](C)(C)C
InChIInChI=1S/C14H35NO5Si2/c1-8-17-14(12-11-13-15,21(5,6)7)20-22(16-4,18-9-2)19-10-3/h8-13,15H2,1-7H3
InChIKeyQFBRLFGFNKOVDG-UHFFFAOYSA-N
MW353.61 g/mol
LogP2.51
Rot. Bonds13

About (4-amino-1-ethoxy-1-trimethylsilylbutyl) diethyl methyl silicate

(4-amino-1-ethoxy-1-trimethylsilylbutyl) diethyl methyl silicate (PubChem CID 174747966) has the molecular formula C14H35NO5Si2 and a molecular weight of 353.61 g/mol. Its IUPAC name is (4-amino-1-ethoxy-1-trimethylsilylbutyl) diethyl methyl silicate.

Molecular Properties

Compound Name(4-amino-1-ethoxy-1-trimethylsilylbutyl) diethyl methyl silicate
PubChem CID174747966
Molecular FormulaC14H35NO5Si2
Molecular Weight353.61 g/mol
Exact Mass353.21
IUPAC Name(4-amino-1-ethoxy-1-trimethylsilylbutyl) diethyl methyl silicate
SMILESCCOC(CCCN)(O[Si](OC)(OCC)OCC)[Si](C)(C)C
InChIInChI=1S/C14H35NO5Si2/c1-8-17-14(12-11-13-15,21(5,6)7)20-22(16-4,18-9-2)19-10-3/h8-13,15H2,1-7H3
InChIKeyQFBRLFGFNKOVDG-UHFFFAOYSA-N
XLogP2.51
TPSA72.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.61
LogP ≤ 52.51
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) diethyl methyl silicate
CID 174781513
(4-amino-1-ethoxy-1-phenylbutyl) diethyl methyl silicate
CID 174858587
3-[diethoxy(methyl)silyl]propan-1-amine;tetramethyl silicate
CID 160657571
(5-amino-2-ethoxypentan-2-yl) triethyl silicate;oxolane
CID 174995931
[3-aminopropyl(diethoxy)silyl] triethyl silicate
CID 22065708
(5-amino-1,1,2-triethoxypentan-2-yl) triethyl silicate
CID 174953555
3-[diethoxy(methoxy)silyl]propan-1-amine;3-[ethoxy(dimethoxy)silyl]propan-1-amine;3-trimethoxysilylpropan-1-amine
CID 159243688
(1-amino-4-ethoxydecan-4-yl) diethyl heptyl silicate
CID 174933385
(5-amino-2-ethoxypentan-2-yl) triethyl silicate;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 174933644
diethoxy-methoxy-(4,4,4-triethoxybutyl)silane
CID 54545002
(1-amino-4-ethoxyheptan-4-yl) (dimethylamino)methyl diethyl silicate
CID 174767471
4-aminobutyl triethyl silicate
CID 140519735

Frequently Asked Questions

What is the IUPAC name of (4-amino-1-ethoxy-1-trimethylsilylbutyl) diethyl methyl silicate?
The IUPAC name of (4-amino-1-ethoxy-1-trimethylsilylbutyl) diethyl methyl silicate (CID 174747966) is (4-amino-1-ethoxy-1-trimethylsilylbutyl) diethyl methyl silicate.
What is the SMILES notation for (4-amino-1-ethoxy-1-trimethylsilylbutyl) diethyl methyl silicate?
The canonical SMILES for (4-amino-1-ethoxy-1-trimethylsilylbutyl) diethyl methyl silicate is CCOC(CCCN)(O[Si](OC)(OCC)OCC)[Si](C)(C)C.
What is the InChIKey of (4-amino-1-ethoxy-1-trimethylsilylbutyl) diethyl methyl silicate?
The InChIKey is QFBRLFGFNKOVDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H35NO5Si2/c1-8-17-14(12-11-13-15,21(5,6)7)20-22(16-4,18-9-2)19-10-3/h8-13,15H2,1-7H3.
What are the key properties of (4-amino-1-ethoxy-1-trimethylsilylbutyl) diethyl methyl silicate?
(4-amino-1-ethoxy-1-trimethylsilylbutyl) diethyl methyl silicate has a molecular weight of 353.61 g/mol, XLogP of 2.51, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1-ethoxy-1-trimethylsilylbutyl) diethyl methyl silicate is sourced from PubChem (CID 174747966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).