[tert-butyl(dimethyl)silyl] 5-[bis[[tert-butyl(dimethyl)silyl]amino]methylideneamino]-2-[[tert-butyl(dimethyl)silyl]amino]pentanoate

C30H70N4O2Si4 — CID 529516

IUPAC[tert-butyl(dimethyl)silyl] 5-[bis[[tert-butyl(dimethyl)silyl]amino]methylideneamino]-2-[[tert-butyl(dimethyl)silyl]amino]pentanoate
SMILESCC(C)(C)[Si](C)(C)NC(=NCCCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C
InChIInChI=1S/C30H70N4O2Si4/c1-27(2,3)37(13,14)32-24(25(35)36-40(19,20)30(10,11)12)22-21-23-31-26(33-38(15,16)28(4,5)6)34-39(17,18)29(7,8)9/h24,32H,21-23H2,1-20H3,(H2,31,33,34)
InChIKeyKZOXLIRXWFDVSM-UHFFFAOYSA-N
MW631.26 g/mol
LogP8.82
Rot. Bonds10

About [tert-butyl(dimethyl)silyl] 5-[bis[[tert-butyl(dimethyl)silyl]amino]methylideneamino]-2-[[tert-butyl(dimethyl)silyl]amino]pentanoate

[tert-butyl(dimethyl)silyl] 5-[bis[[tert-butyl(dimethyl)silyl]amino]methylideneamino]-2-[[tert-butyl(dimethyl)silyl]amino]pentanoate (PubChem CID 529516) has the molecular formula C30H70N4O2Si4 and a molecular weight of 631.26 g/mol. Its IUPAC name is [tert-butyl(dimethyl)silyl] 5-[bis[[tert-butyl(dimethyl)silyl]amino]methylideneamino]-2-[[tert-butyl(dimethyl)silyl]amino]pentanoate.

Molecular Properties

Compound Name[tert-butyl(dimethyl)silyl] 5-[bis[[tert-butyl(dimethyl)silyl]amino]methylideneamino]-2-[[tert-butyl(dimethyl)silyl]amino]pentanoate
PubChem CID529516
Molecular FormulaC30H70N4O2Si4
Molecular Weight631.26 g/mol
Exact Mass630.46
IUPAC Name[tert-butyl(dimethyl)silyl] 5-[bis[[tert-butyl(dimethyl)silyl]amino]methylideneamino]-2-[[tert-butyl(dimethyl)silyl]amino]pentanoate
SMILESCC(C)(C)[Si](C)(C)NC(=NCCCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C
InChIInChI=1S/C30H70N4O2Si4/c1-27(2,3)37(13,14)32-24(25(35)36-40(19,20)30(10,11)12)22-21-23-31-26(33-38(15,16)28(4,5)6)34-39(17,18)29(7,8)9/h24,32H,21-23H2,1-20H3,(H2,31,33,34)
InChIKeyKZOXLIRXWFDVSM-UHFFFAOYSA-N
XLogP8.82
TPSA74.75 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500631.26
LogP ≤ 58.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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,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] 2-[[tert-butyl(dimethyl)silyl]amino]-3-(3-methylimidazol-4-yl)propanoate
CID 552682
tert-butyl 5-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 134235361
8-[tert-butyl(dimethyl)silyl]oxy-2-(methylamino)octanoic acid
CID 142782912
[tert-butyl(dimethyl)silyl] 2-[[tert-butyl(dimethyl)silyl]-[2-[[tert-butyl(dimethyl)silyl]amino]-4-methylpentanoyl]amino]acetate
CID 91732826
methyl 3-[tert-butyl(dimethyl)silyl]oxy-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,8-dimethylnon-2-enoate
CID 87528223
[tert-butyl(dimethyl)silyl] 2-(ethoxycarbonylamino)propanoate
CID 91752616
[tert-butyl(dimethyl)silyl] 2-bis[[tert-butyl(dimethyl)silyl]oxy]phosphorylbutanoate
CID 91745490
bis[tert-butyl(dimethyl)silyl] hexanedioate
CID 528567
tert-butyl (2S)-5-(diaminomethylideneamino)-2-nitramidopentanoate
CID 91023061

Frequently Asked Questions

What is the IUPAC name of [tert-butyl(dimethyl)silyl] 5-[bis[[tert-butyl(dimethyl)silyl]amino]methylideneamino]-2-[[tert-butyl(dimethyl)silyl]amino]pentanoate?
The IUPAC name of [tert-butyl(dimethyl)silyl] 5-[bis[[tert-butyl(dimethyl)silyl]amino]methylideneamino]-2-[[tert-butyl(dimethyl)silyl]amino]pentanoate (CID 529516) is [tert-butyl(dimethyl)silyl] 5-[bis[[tert-butyl(dimethyl)silyl]amino]methylideneamino]-2-[[tert-butyl(dimethyl)silyl]amino]pentanoate.
What is the SMILES notation for [tert-butyl(dimethyl)silyl] 5-[bis[[tert-butyl(dimethyl)silyl]amino]methylideneamino]-2-[[tert-butyl(dimethyl)silyl]amino]pentanoate?
The canonical SMILES for [tert-butyl(dimethyl)silyl] 5-[bis[[tert-butyl(dimethyl)silyl]amino]methylideneamino]-2-[[tert-butyl(dimethyl)silyl]amino]pentanoate is CC(C)(C)[Si](C)(C)NC(=NCCCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C.
What is the InChIKey of [tert-butyl(dimethyl)silyl] 5-[bis[[tert-butyl(dimethyl)silyl]amino]methylideneamino]-2-[[tert-butyl(dimethyl)silyl]amino]pentanoate?
The InChIKey is KZOXLIRXWFDVSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H70N4O2Si4/c1-27(2,3)37(13,14)32-24(25(35)36-40(19,20)30(10,11)12)22-21-23-31-26(33-38(15,16)28(4,5)6)34-39(17,18)29(7,8)9/h24,32H,21-23H2,1-20H3,(H2,31,33,34).
What are the key properties of [tert-butyl(dimethyl)silyl] 5-[bis[[tert-butyl(dimethyl)silyl]amino]methylideneamino]-2-[[tert-butyl(dimethyl)silyl]amino]pentanoate?
[tert-butyl(dimethyl)silyl] 5-[bis[[tert-butyl(dimethyl)silyl]amino]methylideneamino]-2-[[tert-butyl(dimethyl)silyl]amino]pentanoate has a molecular weight of 631.26 g/mol, XLogP of 8.82, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [tert-butyl(dimethyl)silyl] 5-[bis[[tert-butyl(dimethyl)silyl]amino]methylideneamino]-2-[[tert-butyl(dimethyl)silyl]amino]pentanoate is sourced from PubChem (CID 529516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).