[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

C29H66N2O3Si4 — CID 11828147

IUPAC[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
SMILESCC(C)(C)[Si](C)(C)/N=C(\CC[C@H]([15NH][Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C29H66N2O3Si4/c1-26(2,3)35(13,14)30-23(25(32)34-38(19,20)29(10,11)12)21-22-24(31-36(15,16)27(4,5)6)33-37(17,18)28(7,8)9/h23,30H,21-22H2,1-20H3/b31-24+/t23-/m0/s1/i30+1
InChIKeyVZLZLXHLNOEJHY-MQAPNWILSA-N
MW604.20 g/mol
LogP9.70
Rot. Bonds9

About [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

[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 (PubChem CID 11828147) has the molecular formula C29H66N2O3Si4 and a molecular weight of 604.20 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID11828147
Molecular FormulaC29H66N2O3Si4
Molecular Weight604.20 g/mol
Exact Mass603.41
IUPAC Name[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
SMILESCC(C)(C)[Si](C)(C)/N=C(\CC[C@H]([15NH][Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C29H66N2O3Si4/c1-26(2,3)35(13,14)30-23(25(32)34-38(19,20)29(10,11)12)21-22-24(31-36(15,16)27(4,5)6)33-37(17,18)28(7,8)9/h23,30H,21-22H2,1-20H3/b31-24+/t23-/m0/s1/i30+1
InChIKeyVZLZLXHLNOEJHY-MQAPNWILSA-N
XLogP9.70
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.20
LogP ≤ 59.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

[tert-butyl(dimethyl)silyl] 2,5-bis[[tert-butyl(dimethyl)silyl]amino]-5-oxopentanoate
CID 553965
[tert-butyl(dimethyl)silyl] 2-[[tert-butyl(dimethyl)silyl]amino]-4-methylsulfonylbutanoate
CID 553587
[tert-butyl(dimethyl)silyl] (2S)-2,4-bis[[tert-butyl(dimethyl)silyl]amino]-4-oxobutanoate
CID 22212014
[tert-butyl(dimethyl)silyl] 2-[[tert-butyl(dimethyl)silyl]amino]-3-methoxypropanoate
CID 91696881
[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]-3-(3-methylimidazol-4-yl)propanoate
CID 552682
[tert-butyl(dimethyl)silyl] N-[tert-butyl(dimethyl)silyl]propanimidate
CID 529237
[tert-butyl(dimethyl)silyl] 2-[[tert-butyl(dimethyl)silyl]-[2-[[tert-butyl(dimethyl)silyl]amino]-4-methylpentanoyl]amino]acetate
CID 91732826
4-O-[tert-butyl(dimethyl)silyl] 1-O-methyl butanedioate
CID 87697847
[tert-butyl(dimethyl)silyl] 2-(ethoxycarbonylamino)propanoate
CID 91752616
[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxybutanoate
CID 590026
bis[tert-butyl(dimethyl)silyl] hexanedioate
CID 528567

Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is CC(C)(C)[Si](C)(C)/N=C(\CC[C@H]([15NH][Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [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?
The InChIKey is VZLZLXHLNOEJHY-MQAPNWILSA-N. The full InChI is InChI=1S/C29H66N2O3Si4/c1-26(2,3)35(13,14)30-23(25(32)34-38(19,20)29(10,11)12)21-22-24(31-36(15,16)27(4,5)6)33-37(17,18)28(7,8)9/h23,30H,21-22H2,1-20H3/b31-24+/t23-/m0/s1/i30+1.
What are the key properties of [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?
[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 has a molecular weight of 604.20 g/mol, XLogP of 9.70, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 11828147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).