bis[tri(propan-2-yl)silyl] 2-[3-[diethoxy(methyl)silyl]propylamino]butanedioate

C30H65NO6Si3 — CID 88852246

IUPACbis[tri(propan-2-yl)silyl] 2-[3-[diethoxy(methyl)silyl]propylamino]butanedioate
SMILESCCO[Si](C)(CCCNC(CC(=O)O[Si](C(C)C)(C(C)C)C(C)C)C(=O)O[Si](C(C)C)(C(C)C)C(C)C)OCC
InChIInChI=1S/C30H65NO6Si3/c1-16-34-38(15,35-17-2)20-18-19-31-28(30(33)37-40(25(9)10,26(11)12)27(13)14)21-29(32)36-39(22(3)4,23(5)6)24(7)8/h22-28,31H,16-21H2,1-15H3
InChIKeyMAILCXDMQBNOOV-UHFFFAOYSA-N
MW620.11 g/mol
LogP8.31
Rot. Bonds20

About bis[tri(propan-2-yl)silyl] 2-[3-[diethoxy(methyl)silyl]propylamino]butanedioate

bis[tri(propan-2-yl)silyl] 2-[3-[diethoxy(methyl)silyl]propylamino]butanedioate (PubChem CID 88852246) has the molecular formula C30H65NO6Si3 and a molecular weight of 620.11 g/mol. Its IUPAC name is bis[tri(propan-2-yl)silyl] 2-[3-[diethoxy(methyl)silyl]propylamino]butanedioate.

Molecular Properties

Compound Namebis[tri(propan-2-yl)silyl] 2-[3-[diethoxy(methyl)silyl]propylamino]butanedioate
PubChem CID88852246
Molecular FormulaC30H65NO6Si3
Molecular Weight620.11 g/mol
Exact Mass619.41
IUPAC Namebis[tri(propan-2-yl)silyl] 2-[3-[diethoxy(methyl)silyl]propylamino]butanedioate
SMILESCCO[Si](C)(CCCNC(CC(=O)O[Si](C(C)C)(C(C)C)C(C)C)C(=O)O[Si](C(C)C)(C(C)C)C(C)C)OCC
InChIInChI=1S/C30H65NO6Si3/c1-16-34-38(15,35-17-2)20-18-19-31-28(30(33)37-40(25(9)10,26(11)12)27(13)14)21-29(32)36-39(22(3)4,23(5)6)24(7)8/h22-28,31H,16-21H2,1-15H3
InChIKeyMAILCXDMQBNOOV-UHFFFAOYSA-N
XLogP8.31
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds20
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500620.11
LogP ≤ 58.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

tri(propan-2-yl)silyl 3-[3-[diethoxy(methyl)silyl]propylamino]-2-methylpropanoate
CID 88852346
bis(trimethylsilyl) 2-[3-[dimethoxy(methyl)silyl]propylamino]butanedioate
CID 88852125
tri(propan-2-yl)silyl 2-[3-(butan-2-yloxy-ethoxy-methylsilyl)propylamino]acetate
CID 140591101
tri(propan-2-yl)silyl 3-[3-[ethoxy(dimethyl)silyl]propylamino]propanoate
CID 88852274
bis(triethylsilyl) 2-[3-[diethoxy(methyl)silyl]propyl-methylamino]butanedioate
CID 88852114
methyl N-[3-[diethoxy(methyl)silyl]propyl]carbamate
CID 22065771
tri(propan-2-yl)silyl 2-[3-(butan-2-yloxy-ethoxy-methylsilyl)propyl-ethylamino]acetate
CID 140591252
triethylsilyl 3-[3-[diethoxy(methyl)silyl]propyl-ethylamino]-2-methylpropanoate
CID 88852273
dimethyl 2-(3-trimethoxysilylpropylamino)butanedioate
CID 19598212
methyl 3-[3-[diethoxy(methyl)silyl]propylamino]propanoate
CID 88852058
(2S)-2-[3-[ethoxy(dimethyl)silyl]propylamino]butanedioic acid
CID 88852032
ethyl N-[4-[diethoxy(methyl)silyl]butyl]carbamate
CID 22065744

Frequently Asked Questions

What is the IUPAC name of bis[tri(propan-2-yl)silyl] 2-[3-[diethoxy(methyl)silyl]propylamino]butanedioate?
The IUPAC name of bis[tri(propan-2-yl)silyl] 2-[3-[diethoxy(methyl)silyl]propylamino]butanedioate (CID 88852246) is bis[tri(propan-2-yl)silyl] 2-[3-[diethoxy(methyl)silyl]propylamino]butanedioate.
What is the SMILES notation for bis[tri(propan-2-yl)silyl] 2-[3-[diethoxy(methyl)silyl]propylamino]butanedioate?
The canonical SMILES for bis[tri(propan-2-yl)silyl] 2-[3-[diethoxy(methyl)silyl]propylamino]butanedioate is CCO[Si](C)(CCCNC(CC(=O)O[Si](C(C)C)(C(C)C)C(C)C)C(=O)O[Si](C(C)C)(C(C)C)C(C)C)OCC.
What is the InChIKey of bis[tri(propan-2-yl)silyl] 2-[3-[diethoxy(methyl)silyl]propylamino]butanedioate?
The InChIKey is MAILCXDMQBNOOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H65NO6Si3/c1-16-34-38(15,35-17-2)20-18-19-31-28(30(33)37-40(25(9)10,26(11)12)27(13)14)21-29(32)36-39(22(3)4,23(5)6)24(7)8/h22-28,31H,16-21H2,1-15H3.
What are the key properties of bis[tri(propan-2-yl)silyl] 2-[3-[diethoxy(methyl)silyl]propylamino]butanedioate?
bis[tri(propan-2-yl)silyl] 2-[3-[diethoxy(methyl)silyl]propylamino]butanedioate has a molecular weight of 620.11 g/mol, XLogP of 8.31, 20 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis[tri(propan-2-yl)silyl] 2-[3-[diethoxy(methyl)silyl]propylamino]butanedioate is sourced from PubChem (CID 88852246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).