5-[bis(trimethylsilyl)amino]-2-[[bis(trimethylsilyl)amino]methyl]-2-trimethylsilyloxyhexanedioic acid

C22H54N2O5Si5 — CID 568461

IUPAC5-[bis(trimethylsilyl)amino]-2-[[bis(trimethylsilyl)amino]methyl]-2-trimethylsilyloxyhexanedioic acid
SMILESC[Si](C)(C)OC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)(CN([Si](C)(C)C)[Si](C)(C)C)C(=O)O
InChIInChI=1S/C22H54N2O5Si5/c1-30(2,3)23(31(4,5)6)18-22(21(27)28,29-34(13,14)15)17-16-19(20(25)26)24(32(7,8)9)33(10,11)12/h19H,16-18H2,1-15H3,(H,25,26)(H,27,28)
InChIKeyNYDDVNYPZBYTHW-UHFFFAOYSA-N
MW567.11 g/mol
LogP5.84
Rot. Bonds14

About 5-[bis(trimethylsilyl)amino]-2-[[bis(trimethylsilyl)amino]methyl]-2-trimethylsilyloxyhexanedioic acid

5-[bis(trimethylsilyl)amino]-2-[[bis(trimethylsilyl)amino]methyl]-2-trimethylsilyloxyhexanedioic acid (PubChem CID 568461) has the molecular formula C22H54N2O5Si5 and a molecular weight of 567.11 g/mol. Its IUPAC name is 5-[bis(trimethylsilyl)amino]-2-[[bis(trimethylsilyl)amino]methyl]-2-trimethylsilyloxyhexanedioic acid.

Molecular Properties

Compound Name5-[bis(trimethylsilyl)amino]-2-[[bis(trimethylsilyl)amino]methyl]-2-trimethylsilyloxyhexanedioic acid
PubChem CID568461
Molecular FormulaC22H54N2O5Si5
Molecular Weight567.11 g/mol
Exact Mass566.29
IUPAC Name5-[bis(trimethylsilyl)amino]-2-[[bis(trimethylsilyl)amino]methyl]-2-trimethylsilyloxyhexanedioic acid
SMILESC[Si](C)(C)OC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)(CN([Si](C)(C)C)[Si](C)(C)C)C(=O)O
InChIInChI=1S/C22H54N2O5Si5/c1-30(2,3)23(31(4,5)6)18-22(21(27)28,29-34(13,14)15)17-16-19(20(25)26)24(32(7,8)9)33(10,11)12/h19H,16-18H2,1-15H3,(H,25,26)(H,27,28)
InChIKeyNYDDVNYPZBYTHW-UHFFFAOYSA-N
XLogP5.84
TPSA90.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.11
LogP ≤ 55.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[bis(trimethylsilyl)amino]-2-[[bis(trimethylsilyl)amino]methyl]-2-trimethylsilyloxyhexanedioic acid?
The IUPAC name of 5-[bis(trimethylsilyl)amino]-2-[[bis(trimethylsilyl)amino]methyl]-2-trimethylsilyloxyhexanedioic acid (CID 568461) is 5-[bis(trimethylsilyl)amino]-2-[[bis(trimethylsilyl)amino]methyl]-2-trimethylsilyloxyhexanedioic acid.
What is the SMILES notation for 5-[bis(trimethylsilyl)amino]-2-[[bis(trimethylsilyl)amino]methyl]-2-trimethylsilyloxyhexanedioic acid?
The canonical SMILES for 5-[bis(trimethylsilyl)amino]-2-[[bis(trimethylsilyl)amino]methyl]-2-trimethylsilyloxyhexanedioic acid is C[Si](C)(C)OC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)(CN([Si](C)(C)C)[Si](C)(C)C)C(=O)O.
What is the InChIKey of 5-[bis(trimethylsilyl)amino]-2-[[bis(trimethylsilyl)amino]methyl]-2-trimethylsilyloxyhexanedioic acid?
The InChIKey is NYDDVNYPZBYTHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H54N2O5Si5/c1-30(2,3)23(31(4,5)6)18-22(21(27)28,29-34(13,14)15)17-16-19(20(25)26)24(32(7,8)9)33(10,11)12/h19H,16-18H2,1-15H3,(H,25,26)(H,27,28).
What are the key properties of 5-[bis(trimethylsilyl)amino]-2-[[bis(trimethylsilyl)amino]methyl]-2-trimethylsilyloxyhexanedioic acid?
5-[bis(trimethylsilyl)amino]-2-[[bis(trimethylsilyl)amino]methyl]-2-trimethylsilyloxyhexanedioic acid has a molecular weight of 567.11 g/mol, XLogP of 5.84, 14 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[bis(trimethylsilyl)amino]-2-[[bis(trimethylsilyl)amino]methyl]-2-trimethylsilyloxyhexanedioic acid is sourced from PubChem (CID 568461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).