[tert-butyl(dimethyl)silyl] 3-[3-[diethoxy(methyl)silyl]propyl-methylamino]propanoate

C18H41NO4Si2 — CID 88852298

IUPAC[tert-butyl(dimethyl)silyl] 3-[3-[diethoxy(methyl)silyl]propyl-methylamino]propanoate
SMILESCCO[Si](C)(CCCN(C)CCC(=O)O[Si](C)(C)C(C)(C)C)OCC
InChIInChI=1S/C18H41NO4Si2/c1-10-21-25(9,22-11-2)16-12-14-19(6)15-13-17(20)23-24(7,8)18(3,4)5/h10-16H2,1-9H3
InChIKeyPQYGTZLWFDBPLQ-UHFFFAOYSA-N
MW391.70 g/mol
LogP4.39
Rot. Bonds12

About [tert-butyl(dimethyl)silyl] 3-[3-[diethoxy(methyl)silyl]propyl-methylamino]propanoate

[tert-butyl(dimethyl)silyl] 3-[3-[diethoxy(methyl)silyl]propyl-methylamino]propanoate (PubChem CID 88852298) has the molecular formula C18H41NO4Si2 and a molecular weight of 391.70 g/mol. Its IUPAC name is [tert-butyl(dimethyl)silyl] 3-[3-[diethoxy(methyl)silyl]propyl-methylamino]propanoate.

Molecular Properties

Compound Name[tert-butyl(dimethyl)silyl] 3-[3-[diethoxy(methyl)silyl]propyl-methylamino]propanoate
PubChem CID88852298
Molecular FormulaC18H41NO4Si2
Molecular Weight391.70 g/mol
Exact Mass391.26
IUPAC Name[tert-butyl(dimethyl)silyl] 3-[3-[diethoxy(methyl)silyl]propyl-methylamino]propanoate
SMILESCCO[Si](C)(CCCN(C)CCC(=O)O[Si](C)(C)C(C)(C)C)OCC
InChIInChI=1S/C18H41NO4Si2/c1-10-21-25(9,22-11-2)16-12-14-19(6)15-13-17(20)23-24(7,8)18(3,4)5/h10-16H2,1-9H3
InChIKeyPQYGTZLWFDBPLQ-UHFFFAOYSA-N
XLogP4.39
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.70
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[tert-butyl(dimethyl)silyl] 3-[3-[ethoxy(dimethyl)silyl]propyl-methylamino]propanoate
CID 88852155
[tert-butyl(dimethyl)silyl] 3-[3-[diethoxy(methyl)silyl]propyl-ethylamino]propanoate
CID 88852109
triethylsilyl 3-[3-[diethoxy(methyl)silyl]propyl-ethylamino]propanoate
CID 88852037
[tert-butyl(dimethyl)silyl] 3-[ethyl-[3-[methoxy(dimethyl)silyl]propyl]amino]propanoate
CID 88852191
[tert-butyl(dimethyl)silyl] 3-[ethyl(3-trimethoxysilylpropyl)amino]propanoate
CID 88852033
bis[tert-butyl(dimethyl)silyl] hexanedioate
CID 528567
[tert-butyl(dimethyl)silyl] tetradecanoate
CID 528599
[tert-butyl(dimethyl)silyl] heptacosanoate
CID 91752633
tert-butyl-[3-[diethoxy(methyl)silyl]propoxy]-dimethylsilane
CID 86070963
[tert-butyl(dimethyl)silyl] 5-[tert-butyl(dimethyl)silyl]oxypentanoate
CID 22907893
2-bromo-6-[diethoxy(methyl)silyl]-2-methylhexan-3-one
CID 140665528
N-[3-[diethoxy(methyl)silyl]propyl]-N,2-dimethylprop-2-enamide
CID 139724660

Frequently Asked Questions

What is the IUPAC name of [tert-butyl(dimethyl)silyl] 3-[3-[diethoxy(methyl)silyl]propyl-methylamino]propanoate?
The IUPAC name of [tert-butyl(dimethyl)silyl] 3-[3-[diethoxy(methyl)silyl]propyl-methylamino]propanoate (CID 88852298) is [tert-butyl(dimethyl)silyl] 3-[3-[diethoxy(methyl)silyl]propyl-methylamino]propanoate.
What is the SMILES notation for [tert-butyl(dimethyl)silyl] 3-[3-[diethoxy(methyl)silyl]propyl-methylamino]propanoate?
The canonical SMILES for [tert-butyl(dimethyl)silyl] 3-[3-[diethoxy(methyl)silyl]propyl-methylamino]propanoate is CCO[Si](C)(CCCN(C)CCC(=O)O[Si](C)(C)C(C)(C)C)OCC.
What is the InChIKey of [tert-butyl(dimethyl)silyl] 3-[3-[diethoxy(methyl)silyl]propyl-methylamino]propanoate?
The InChIKey is PQYGTZLWFDBPLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H41NO4Si2/c1-10-21-25(9,22-11-2)16-12-14-19(6)15-13-17(20)23-24(7,8)18(3,4)5/h10-16H2,1-9H3.
What are the key properties of [tert-butyl(dimethyl)silyl] 3-[3-[diethoxy(methyl)silyl]propyl-methylamino]propanoate?
[tert-butyl(dimethyl)silyl] 3-[3-[diethoxy(methyl)silyl]propyl-methylamino]propanoate has a molecular weight of 391.70 g/mol, XLogP of 4.39, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [tert-butyl(dimethyl)silyl] 3-[3-[diethoxy(methyl)silyl]propyl-methylamino]propanoate is sourced from PubChem (CID 88852298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).