5-aminopentan-2-yl [5-aminopentan-2-yloxy(diethoxy)silyl] diethyl silicate

C18H44N2O7Si2 — CID 141125272

IUPAC5-aminopentan-2-yl [5-aminopentan-2-yloxy(diethoxy)silyl] diethyl silicate
SMILESCCO[Si](OCC)(OC(C)CCCN)O[Si](OCC)(OCC)OC(C)CCCN
InChIInChI=1S/C18H44N2O7Si2/c1-7-21-28(22-8-2,25-17(5)13-11-15-19)27-29(23-9-3,24-10-4)26-18(6)14-12-16-20/h17-18H,7-16,19-20H2,1-6H3
InChIKeyGDVWDCVCRVDGQN-UHFFFAOYSA-N
MW456.73 g/mol
LogP2.31
Rot. Bonds20

About 5-aminopentan-2-yl [5-aminopentan-2-yloxy(diethoxy)silyl] diethyl silicate

5-aminopentan-2-yl [5-aminopentan-2-yloxy(diethoxy)silyl] diethyl silicate (PubChem CID 141125272) has the molecular formula C18H44N2O7Si2 and a molecular weight of 456.73 g/mol. Its IUPAC name is 5-aminopentan-2-yl [5-aminopentan-2-yloxy(diethoxy)silyl] diethyl silicate.

Molecular Properties

Compound Name5-aminopentan-2-yl [5-aminopentan-2-yloxy(diethoxy)silyl] diethyl silicate
PubChem CID141125272
Molecular FormulaC18H44N2O7Si2
Molecular Weight456.73 g/mol
Exact Mass456.27
IUPAC Name5-aminopentan-2-yl [5-aminopentan-2-yloxy(diethoxy)silyl] diethyl silicate
SMILESCCO[Si](OCC)(OC(C)CCCN)O[Si](OCC)(OCC)OC(C)CCCN
InChIInChI=1S/C18H44N2O7Si2/c1-7-21-28(22-8-2,25-17(5)13-11-15-19)27-29(23-9-3,24-10-4)26-18(6)14-12-16-20/h17-18H,7-16,19-20H2,1-6H3
InChIKeyGDVWDCVCRVDGQN-UHFFFAOYSA-N
XLogP2.31
TPSA116.65 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds20
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.73
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

4-[ethoxy(dimethyl)silyl]oxypentan-1-amine
CID 141359979
4-[3-aminopropyl(diethyl)silyl]oxypentan-1-amine
CID 89315317
3-(3-aminopropyl-ethoxy-ethylsilyl)oxybutan-1-amine
CID 141113321
3-aminopropylsilyl triethyl silicate
CID 123662062
[3-aminopropyl(diethoxy)silyl] triethyl silicate
CID 22065708
N'-[3-(3-aminopropyl-ethoxy-methylsilyl)oxybutyl]ethane-1,2-diamine
CID 141116193
4-aminobutyl triethyl silicate
CID 140519735
3-[[(2S)-3-[3-aminopropyl(diethoxy)silyl]oxybutan-2-yl]oxy-diethoxysilyl]propan-1-amine
CID 58773749
3-(3-chloropropyl-ethoxy-methylsilyl)oxybutan-1-amine
CID 174395414
diethoxy-octyl-pentadecan-2-yloxysilane
CID 150899900
(4-amino-1-ethoxybutyl) diethyl methyl silicate;toluene
CID 174801068
diethoxy-hexadecan-2-yloxy-methylsilane
CID 176915381

Frequently Asked Questions

What is the IUPAC name of 5-aminopentan-2-yl [5-aminopentan-2-yloxy(diethoxy)silyl] diethyl silicate?
The IUPAC name of 5-aminopentan-2-yl [5-aminopentan-2-yloxy(diethoxy)silyl] diethyl silicate (CID 141125272) is 5-aminopentan-2-yl [5-aminopentan-2-yloxy(diethoxy)silyl] diethyl silicate.
What is the SMILES notation for 5-aminopentan-2-yl [5-aminopentan-2-yloxy(diethoxy)silyl] diethyl silicate?
The canonical SMILES for 5-aminopentan-2-yl [5-aminopentan-2-yloxy(diethoxy)silyl] diethyl silicate is CCO[Si](OCC)(OC(C)CCCN)O[Si](OCC)(OCC)OC(C)CCCN.
What is the InChIKey of 5-aminopentan-2-yl [5-aminopentan-2-yloxy(diethoxy)silyl] diethyl silicate?
The InChIKey is GDVWDCVCRVDGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H44N2O7Si2/c1-7-21-28(22-8-2,25-17(5)13-11-15-19)27-29(23-9-3,24-10-4)26-18(6)14-12-16-20/h17-18H,7-16,19-20H2,1-6H3.
What are the key properties of 5-aminopentan-2-yl [5-aminopentan-2-yloxy(diethoxy)silyl] diethyl silicate?
5-aminopentan-2-yl [5-aminopentan-2-yloxy(diethoxy)silyl] diethyl silicate has a molecular weight of 456.73 g/mol, XLogP of 2.31, 20 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-aminopentan-2-yl [5-aminopentan-2-yloxy(diethoxy)silyl] diethyl silicate is sourced from PubChem (CID 141125272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).