trimethylsilyl 4-[bis(trimethylsilyl)amino]butanoate

C13H33NO2Si3 — CID 529208

IUPACtrimethylsilyl 4-[bis(trimethylsilyl)amino]butanoate
SMILESC[Si](C)(C)OC(=O)CCCN([Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C13H33NO2Si3/c1-17(2,3)14(18(4,5)6)12-10-11-13(15)16-19(7,8)9/h10-12H2,1-9H3
InChIKeyHMZQEGNJWXKANK-UHFFFAOYSA-N
MW319.67 g/mol
LogP4.12
Rot. Bonds7

About trimethylsilyl 4-[bis(trimethylsilyl)amino]butanoate

trimethylsilyl 4-[bis(trimethylsilyl)amino]butanoate (PubChem CID 529208) has the molecular formula C13H33NO2Si3 and a molecular weight of 319.67 g/mol. Its IUPAC name is trimethylsilyl 4-[bis(trimethylsilyl)amino]butanoate.

Molecular Properties

Compound Nametrimethylsilyl 4-[bis(trimethylsilyl)amino]butanoate
PubChem CID529208
Molecular FormulaC13H33NO2Si3
Molecular Weight319.67 g/mol
Exact Mass319.18
IUPAC Nametrimethylsilyl 4-[bis(trimethylsilyl)amino]butanoate
SMILESC[Si](C)(C)OC(=O)CCCN([Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C13H33NO2Si3/c1-17(2,3)14(18(4,5)6)12-10-11-13(15)16-19(7,8)9/h10-12H2,1-9H3
InChIKeyHMZQEGNJWXKANK-UHFFFAOYSA-N
XLogP4.12
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.67
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

trimethylsilyl 6-[bis(trimethylsilyl)amino]hexanoate
CID 529226
O-trimethylsilyl 4-[bis(trimethylsilyl)amino]butanethioate
CID 87248780
trimethylsilyl icosanoate
CID 521648
trimethylsilyl 3-[3-trimethoxysilylpropyl(trimethylsilyl)amino]propanoate
CID 88852136
bis(trimethylsilyl) (Z)-oct-4-enedioate
CID 91753100
trimethylsilyl (7E)-7-trimethylsilyloxyiminooctanoate
CID 5372781
trimethylsilyl 17-methyloctadecanoate
CID 91752780
bis(trimethylsilyl) 2-trimethylsilyloxyiminohexanedioate
CID 528740
trimethylsilyl 6-trimethylsilylhex-5-ynoate
CID 102423041
trimethylsilyl (E)-octadec-11-enoate
CID 5366419
(E)-2-methyl-3-(4-oxo-4-trimethylsilyloxybutyl)but-2-enedioic acid
CID 151184176
trimethylsilyl 2-[bis[2-[bis(2-oxo-2-trimethylsilyloxyethyl)amino]ethyl]amino]acetate
CID 91745582

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 4-[bis(trimethylsilyl)amino]butanoate?
The IUPAC name of trimethylsilyl 4-[bis(trimethylsilyl)amino]butanoate (CID 529208) is trimethylsilyl 4-[bis(trimethylsilyl)amino]butanoate.
What is the SMILES notation for trimethylsilyl 4-[bis(trimethylsilyl)amino]butanoate?
The canonical SMILES for trimethylsilyl 4-[bis(trimethylsilyl)amino]butanoate is C[Si](C)(C)OC(=O)CCCN([Si](C)(C)C)[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 4-[bis(trimethylsilyl)amino]butanoate?
The InChIKey is HMZQEGNJWXKANK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H33NO2Si3/c1-17(2,3)14(18(4,5)6)12-10-11-13(15)16-19(7,8)9/h10-12H2,1-9H3.
What are the key properties of trimethylsilyl 4-[bis(trimethylsilyl)amino]butanoate?
trimethylsilyl 4-[bis(trimethylsilyl)amino]butanoate has a molecular weight of 319.67 g/mol, XLogP of 4.12, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 4-[bis(trimethylsilyl)amino]butanoate is sourced from PubChem (CID 529208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).