[tert-butyl(dimethyl)silyl] 2,5-bis[[tert-butyl(dimethyl)silyl]amino]-5-oxopentanoate

C23H52N2O3Si3 — CID 553965

IUPAC[tert-butyl(dimethyl)silyl] 2,5-bis[[tert-butyl(dimethyl)silyl]amino]-5-oxopentanoate
SMILESCC(C)(C)[Si](C)(C)NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H52N2O3Si3/c1-21(2,3)29(10,11)24-18(20(27)28-31(14,15)23(7,8)9)16-17-19(26)25-30(12,13)22(4,5)6/h18,24H,16-17H2,1-15H3,(H,25,26)
InChIKeySCHQVORKBCRFQF-UHFFFAOYSA-N
MW488.94 g/mol
LogP6.40
Rot. Bonds8

About [tert-butyl(dimethyl)silyl] 2,5-bis[[tert-butyl(dimethyl)silyl]amino]-5-oxopentanoate

[tert-butyl(dimethyl)silyl] 2,5-bis[[tert-butyl(dimethyl)silyl]amino]-5-oxopentanoate (PubChem CID 553965) has the molecular formula C23H52N2O3Si3 and a molecular weight of 488.94 g/mol. Its IUPAC name is [tert-butyl(dimethyl)silyl] 2,5-bis[[tert-butyl(dimethyl)silyl]amino]-5-oxopentanoate.

Molecular Properties

Compound Name[tert-butyl(dimethyl)silyl] 2,5-bis[[tert-butyl(dimethyl)silyl]amino]-5-oxopentanoate
PubChem CID553965
Molecular FormulaC23H52N2O3Si3
Molecular Weight488.94 g/mol
Exact Mass488.33
IUPAC Name[tert-butyl(dimethyl)silyl] 2,5-bis[[tert-butyl(dimethyl)silyl]amino]-5-oxopentanoate
SMILESCC(C)(C)[Si](C)(C)NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H52N2O3Si3/c1-21(2,3)29(10,11)24-18(20(27)28-31(14,15)23(7,8)9)16-17-19(26)25-30(12,13)22(4,5)6/h18,24H,16-17H2,1-15H3,(H,25,26)
InChIKeySCHQVORKBCRFQF-UHFFFAOYSA-N
XLogP6.40
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.94
LogP ≤ 56.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[tert-butyl(dimethyl)silyl] (2S)-2,4-bis[[tert-butyl(dimethyl)silyl]amino]-4-oxobutanoate
CID 22212014
[tert-butyl(dimethyl)silyl] (2S,5E)-2-[[tert-butyl(dimethyl)silyl](15N)amino]-5-[tert-butyl(dimethyl)silyl]imino-5-[tert-butyl(dimethyl)silyl]oxypentanoate
CID 11828147
[tert-butyl(dimethyl)silyl] 5-[bis[[tert-butyl(dimethyl)silyl]amino]methylideneamino]-2-[[tert-butyl(dimethyl)silyl]amino]pentanoate
CID 529516
[tert-butyl(dimethyl)silyl] 2-[[tert-butyl(dimethyl)silyl]amino]-4-methylsulfonylbutanoate
CID 553587
[tert-butyl(dimethyl)silyl] 2-[[tert-butyl(dimethyl)silyl]amino]-3-methoxypropanoate
CID 91696881
[tert-butyl(dimethyl)silyl] 2-[[tert-butyl(dimethyl)silyl]amino]-3-(3-methylimidazol-4-yl)propanoate
CID 552682
[tert-butyl(dimethyl)silyl] 2-[[tert-butyl(dimethyl)silyl]-[2-[[tert-butyl(dimethyl)silyl]amino]-4-methylpentanoyl]amino]acetate
CID 91732826
[tert-butyl(dimethyl)silyl] 2-(ethoxycarbonylamino)propanoate
CID 91752616
bis[tert-butyl(dimethyl)silyl] hexanedioate
CID 528567
4-O-[tert-butyl(dimethyl)silyl] 1-O-methyl butanedioate
CID 87697847
[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxybutanoate
CID 590026
methyl (2S,3R)-2-[[tert-butyl(dimethyl)silyl]amino]-3-hydroxybutanoate
CID 88662709

Frequently Asked Questions

What is the IUPAC name of [tert-butyl(dimethyl)silyl] 2,5-bis[[tert-butyl(dimethyl)silyl]amino]-5-oxopentanoate?
The IUPAC name of [tert-butyl(dimethyl)silyl] 2,5-bis[[tert-butyl(dimethyl)silyl]amino]-5-oxopentanoate (CID 553965) is [tert-butyl(dimethyl)silyl] 2,5-bis[[tert-butyl(dimethyl)silyl]amino]-5-oxopentanoate.
What is the SMILES notation for [tert-butyl(dimethyl)silyl] 2,5-bis[[tert-butyl(dimethyl)silyl]amino]-5-oxopentanoate?
The canonical SMILES for [tert-butyl(dimethyl)silyl] 2,5-bis[[tert-butyl(dimethyl)silyl]amino]-5-oxopentanoate is CC(C)(C)[Si](C)(C)NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [tert-butyl(dimethyl)silyl] 2,5-bis[[tert-butyl(dimethyl)silyl]amino]-5-oxopentanoate?
The InChIKey is SCHQVORKBCRFQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H52N2O3Si3/c1-21(2,3)29(10,11)24-18(20(27)28-31(14,15)23(7,8)9)16-17-19(26)25-30(12,13)22(4,5)6/h18,24H,16-17H2,1-15H3,(H,25,26).
What are the key properties of [tert-butyl(dimethyl)silyl] 2,5-bis[[tert-butyl(dimethyl)silyl]amino]-5-oxopentanoate?
[tert-butyl(dimethyl)silyl] 2,5-bis[[tert-butyl(dimethyl)silyl]amino]-5-oxopentanoate has a molecular weight of 488.94 g/mol, XLogP of 6.40, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [tert-butyl(dimethyl)silyl] 2,5-bis[[tert-butyl(dimethyl)silyl]amino]-5-oxopentanoate is sourced from PubChem (CID 553965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).