(5-amino-1,1,2-triethoxypentan-2-yl) triethyl silicate

C17H39NO7Si — CID 174953555

IUPAC(5-amino-1,1,2-triethoxypentan-2-yl) triethyl silicate
SMILESCCOC(OCC)C(CCCN)(OCC)O[Si](OCC)(OCC)OCC
InChIInChI=1S/C17H39NO7Si/c1-7-19-16(20-8-2)17(21-9-3,14-13-15-18)25-26(22-10-4,23-11-5)24-12-6/h16H,7-15,18H2,1-6H3
InChIKeyJKNNKXWKHDRTTA-UHFFFAOYSA-N
MW397.59 g/mol
LogP2.42
Rot. Bonds18

About (5-amino-1,1,2-triethoxypentan-2-yl) triethyl silicate

(5-amino-1,1,2-triethoxypentan-2-yl) triethyl silicate (PubChem CID 174953555) has the molecular formula C17H39NO7Si and a molecular weight of 397.59 g/mol. Its IUPAC name is (5-amino-1,1,2-triethoxypentan-2-yl) triethyl silicate.

Molecular Properties

Compound Name(5-amino-1,1,2-triethoxypentan-2-yl) triethyl silicate
PubChem CID174953555
Molecular FormulaC17H39NO7Si
Molecular Weight397.59 g/mol
Exact Mass397.25
IUPAC Name(5-amino-1,1,2-triethoxypentan-2-yl) triethyl silicate
SMILESCCOC(OCC)C(CCCN)(OCC)O[Si](OCC)(OCC)OCC
InChIInChI=1S/C17H39NO7Si/c1-7-19-16(20-8-2)17(21-9-3,14-13-15-18)25-26(22-10-4,23-11-5)24-12-6/h16H,7-15,18H2,1-6H3
InChIKeyJKNNKXWKHDRTTA-UHFFFAOYSA-N
XLogP2.42
TPSA90.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds18
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.59
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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-trimethylsilylbutyl) diethyl methyl silicate
CID 174747966
(4-amino-1-ethoxy-1-phenylbutyl) diethyl methyl silicate
CID 174858587
(5-amino-2-ethoxypentan-2-yl) triethyl silicate;oxolane
CID 174995931
(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
(1-amino-4-ethoxyheptan-4-yl) (dimethylamino)methyl diethyl silicate
CID 174767471
3-aminopropylsilyl triethyl silicate
CID 123662062
(1,1-diethoxy-2-methylpropyl) triethyl silicate
CID 175465706
4-aminobutyl triethyl silicate
CID 140519735
[diethoxy(triethoxysilyl)methyl] triethyl silicate
CID 58810725
oxo-bis(1,1,2,2-tetraethoxyethoxy)silane
CID 20571310

Frequently Asked Questions

What is the IUPAC name of (5-amino-1,1,2-triethoxypentan-2-yl) triethyl silicate?
The IUPAC name of (5-amino-1,1,2-triethoxypentan-2-yl) triethyl silicate (CID 174953555) is (5-amino-1,1,2-triethoxypentan-2-yl) triethyl silicate.
What is the SMILES notation for (5-amino-1,1,2-triethoxypentan-2-yl) triethyl silicate?
The canonical SMILES for (5-amino-1,1,2-triethoxypentan-2-yl) triethyl silicate is CCOC(OCC)C(CCCN)(OCC)O[Si](OCC)(OCC)OCC.
What is the InChIKey of (5-amino-1,1,2-triethoxypentan-2-yl) triethyl silicate?
The InChIKey is JKNNKXWKHDRTTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H39NO7Si/c1-7-19-16(20-8-2)17(21-9-3,14-13-15-18)25-26(22-10-4,23-11-5)24-12-6/h16H,7-15,18H2,1-6H3.
What are the key properties of (5-amino-1,1,2-triethoxypentan-2-yl) triethyl silicate?
(5-amino-1,1,2-triethoxypentan-2-yl) triethyl silicate has a molecular weight of 397.59 g/mol, XLogP of 2.42, 18 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-1,1,2-triethoxypentan-2-yl) triethyl silicate is sourced from PubChem (CID 174953555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).