tri(propan-2-yl)silyl 3-[3-[ethoxy(dimethyl)silyl]propylamino]propanoate

C19H43NO3Si2 — CID 88852274

IUPACtri(propan-2-yl)silyl 3-[3-[ethoxy(dimethyl)silyl]propylamino]propanoate
SMILESCCO[Si](C)(C)CCCNCCC(=O)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C19H43NO3Si2/c1-10-22-24(8,9)15-11-13-20-14-12-19(21)23-25(16(2)3,17(4)5)18(6)7/h16-18,20H,10-15H2,1-9H3
InChIKeyZRHUGIGSSQBISN-UHFFFAOYSA-N
MW389.73 g/mol
LogP5.32
Rot. Bonds13

About tri(propan-2-yl)silyl 3-[3-[ethoxy(dimethyl)silyl]propylamino]propanoate

tri(propan-2-yl)silyl 3-[3-[ethoxy(dimethyl)silyl]propylamino]propanoate (PubChem CID 88852274) has the molecular formula C19H43NO3Si2 and a molecular weight of 389.73 g/mol. Its IUPAC name is tri(propan-2-yl)silyl 3-[3-[ethoxy(dimethyl)silyl]propylamino]propanoate.

Molecular Properties

Compound Nametri(propan-2-yl)silyl 3-[3-[ethoxy(dimethyl)silyl]propylamino]propanoate
PubChem CID88852274
Molecular FormulaC19H43NO3Si2
Molecular Weight389.73 g/mol
Exact Mass389.28
IUPAC Nametri(propan-2-yl)silyl 3-[3-[ethoxy(dimethyl)silyl]propylamino]propanoate
SMILESCCO[Si](C)(C)CCCNCCC(=O)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C19H43NO3Si2/c1-10-22-24(8,9)15-11-13-20-14-12-19(21)23-25(16(2)3,17(4)5)18(6)7/h16-18,20H,10-15H2,1-9H3
InChIKeyZRHUGIGSSQBISN-UHFFFAOYSA-N
XLogP5.32
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.73
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[3-[diethoxy(methyl)silyl]propylamino]propanoate
CID 88852058
tri(propan-2-yl)silyl 2-[3-(butan-2-yloxy-ethoxy-methylsilyl)propylamino]acetate
CID 140591101
tri(propan-2-yl)silyl 3-[3-[diethoxy(methyl)silyl]propylamino]-2-methylpropanoate
CID 88852346
bis[tri(propan-2-yl)silyl] 2-[3-[diethoxy(methyl)silyl]propylamino]butanedioate
CID 88852246
tri(propan-2-yl)silyl 3-[3-[methoxy(dimethyl)silyl]propylamino]-2-methylpropanoate
CID 88852245
tert-butyl 3-(3-triethoxysilylpropylamino)propanoate
CID 22345864
methyl 2-[3-[ethoxy(dimethyl)silyl]propylamino]-2-oxoacetate
CID 175715117
N'-[2-[ethoxy(dimethyl)silyl]ethyl]ethane-1,2-diamine
CID 153324417
2-bromo-N-[3-[diethoxy(methyl)silyl]propyl]acetamide;2-bromo-N-[3-[ethoxy(dimethyl)silyl]propyl]acetamide;2-bromo-N-[4-[methoxy-di(propan-2-yl)silyl]butyl]acetamide
CID 162211898
[tert-butyl(dimethyl)silyl] 3-[3-[ethoxy(dimethyl)silyl]propyl-methylamino]propanoate
CID 88852155
methyl 3-[3-(diethylamino)propylamino]propanoate
CID 43242751
(2S)-2-[3-[ethoxy(dimethyl)silyl]propylamino]butanedioic acid
CID 88852032

Frequently Asked Questions

What is the IUPAC name of tri(propan-2-yl)silyl 3-[3-[ethoxy(dimethyl)silyl]propylamino]propanoate?
The IUPAC name of tri(propan-2-yl)silyl 3-[3-[ethoxy(dimethyl)silyl]propylamino]propanoate (CID 88852274) is tri(propan-2-yl)silyl 3-[3-[ethoxy(dimethyl)silyl]propylamino]propanoate.
What is the SMILES notation for tri(propan-2-yl)silyl 3-[3-[ethoxy(dimethyl)silyl]propylamino]propanoate?
The canonical SMILES for tri(propan-2-yl)silyl 3-[3-[ethoxy(dimethyl)silyl]propylamino]propanoate is CCO[Si](C)(C)CCCNCCC(=O)O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of tri(propan-2-yl)silyl 3-[3-[ethoxy(dimethyl)silyl]propylamino]propanoate?
The InChIKey is ZRHUGIGSSQBISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H43NO3Si2/c1-10-22-24(8,9)15-11-13-20-14-12-19(21)23-25(16(2)3,17(4)5)18(6)7/h16-18,20H,10-15H2,1-9H3.
What are the key properties of tri(propan-2-yl)silyl 3-[3-[ethoxy(dimethyl)silyl]propylamino]propanoate?
tri(propan-2-yl)silyl 3-[3-[ethoxy(dimethyl)silyl]propylamino]propanoate has a molecular weight of 389.73 g/mol, XLogP of 5.32, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tri(propan-2-yl)silyl 3-[3-[ethoxy(dimethyl)silyl]propylamino]propanoate is sourced from PubChem (CID 88852274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).