(5-amino-2-ethoxypentan-2-yl) triethyl silicate;oxolane

C17H39NO6Si — CID 174995931

IUPAC(5-amino-2-ethoxypentan-2-yl) triethyl silicate;oxolane
SMILESC1CCOC1.CCOC(C)(CCCN)O[Si](OCC)(OCC)OCC
InChIInChI=1S/C13H31NO5Si.C4H8O/c1-6-15-13(5,11-10-12-14)19-20(16-7-2,17-8-3)18-9-4;1-2-4-5-3-1/h6-12,14H2,1-5H3;1-4H2
InChIKeySBHPWLNGWVZYNZ-UHFFFAOYSA-N
MW381.59 g/mol
LogP2.84
Rot. Bonds13

About (5-amino-2-ethoxypentan-2-yl) triethyl silicate;oxolane

(5-amino-2-ethoxypentan-2-yl) triethyl silicate;oxolane (PubChem CID 174995931) has the molecular formula C17H39NO6Si and a molecular weight of 381.59 g/mol. Its IUPAC name is (5-amino-2-ethoxypentan-2-yl) triethyl silicate;oxolane.

Molecular Properties

Compound Name(5-amino-2-ethoxypentan-2-yl) triethyl silicate;oxolane
PubChem CID174995931
Molecular FormulaC17H39NO6Si
Molecular Weight381.59 g/mol
Exact Mass381.25
IUPAC Name(5-amino-2-ethoxypentan-2-yl) triethyl silicate;oxolane
SMILESC1CCOC1.CCOC(C)(CCCN)O[Si](OCC)(OCC)OCC
InChIInChI=1S/C13H31NO5Si.C4H8O/c1-6-15-13(5,11-10-12-14)19-20(16-7-2,17-8-3)18-9-4;1-2-4-5-3-1/h6-12,14H2,1-5H3;1-4H2
InChIKeySBHPWLNGWVZYNZ-UHFFFAOYSA-N
XLogP2.84
TPSA81.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.59
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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
(5-amino-2-ethoxypentan-2-yl) triethyl silicate;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 174933644
(4-amino-1-ethoxy-1-trimethylsilylbutyl) diethyl methyl silicate
CID 174747966
(1-amino-4-ethoxydecan-4-yl) diethyl heptyl silicate
CID 174933385
(5-amino-1,1,2-triethoxypentan-2-yl) triethyl silicate
CID 174953555
(1-amino-4-ethoxyheptan-4-yl) (dimethylamino)methyl diethyl silicate
CID 174767471
4-aminobutyl triethyl silicate
CID 140519735
[diethoxy(triethoxysilyl)methyl] triethyl silicate
CID 58810725
4-[amino(diethoxy)silyl]oxybutan-1-amine
CID 87267549
7-amino-2-ethoxy-2-methylheptan-3-one
CID 146555054
5,5-diethoxyhexanoic acid
CID 174569404
(4-amino-1-ethoxy-1-phenylbutyl) diethyl methyl silicate
CID 174858587

Frequently Asked Questions

What is the IUPAC name of (5-amino-2-ethoxypentan-2-yl) triethyl silicate;oxolane?
The IUPAC name of (5-amino-2-ethoxypentan-2-yl) triethyl silicate;oxolane (CID 174995931) is (5-amino-2-ethoxypentan-2-yl) triethyl silicate;oxolane.
What is the SMILES notation for (5-amino-2-ethoxypentan-2-yl) triethyl silicate;oxolane?
The canonical SMILES for (5-amino-2-ethoxypentan-2-yl) triethyl silicate;oxolane is C1CCOC1.CCOC(C)(CCCN)O[Si](OCC)(OCC)OCC.
What is the InChIKey of (5-amino-2-ethoxypentan-2-yl) triethyl silicate;oxolane?
The InChIKey is SBHPWLNGWVZYNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H31NO5Si.C4H8O/c1-6-15-13(5,11-10-12-14)19-20(16-7-2,17-8-3)18-9-4;1-2-4-5-3-1/h6-12,14H2,1-5H3;1-4H2.
What are the key properties of (5-amino-2-ethoxypentan-2-yl) triethyl silicate;oxolane?
(5-amino-2-ethoxypentan-2-yl) triethyl silicate;oxolane has a molecular weight of 381.59 g/mol, XLogP of 2.84, 13 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2-ethoxypentan-2-yl) triethyl silicate;oxolane is sourced from PubChem (CID 174995931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).