2,4-bis[3-[methoxy(dimethyl)silyl]propylcarbamoyl]cyclobutane-1,3-dicarboxylic acid

C20H38N2O8Si2 — CID 174032206

IUPAC2,4-bis[3-[methoxy(dimethyl)silyl]propylcarbamoyl]cyclobutane-1,3-dicarboxylic acid
SMILESCO[Si](C)(C)CCCNC(=O)C1C(C(=O)O)C(C(=O)NCCC[Si](C)(C)OC)C1C(=O)O
InChIInChI=1S/C20H38N2O8Si2/c1-29-31(3,4)11-7-9-21-17(23)13-15(19(25)26)14(16(13)20(27)28)18(24)22-10-8-12-32(5,6)30-2/h13-16H,7-12H2,1-6H3,(H,21,23)(H,22,24)(H,25,26)(H,27,28)
InChIKeyJHZSIVFPGUSNOL-UHFFFAOYSA-N
MW490.70 g/mol
LogP1.35
Rot. Bonds14

About 2,4-bis[3-[methoxy(dimethyl)silyl]propylcarbamoyl]cyclobutane-1,3-dicarboxylic acid

2,4-bis[3-[methoxy(dimethyl)silyl]propylcarbamoyl]cyclobutane-1,3-dicarboxylic acid (PubChem CID 174032206) has the molecular formula C20H38N2O8Si2 and a molecular weight of 490.70 g/mol. Its IUPAC name is 2,4-bis[3-[methoxy(dimethyl)silyl]propylcarbamoyl]cyclobutane-1,3-dicarboxylic acid.

Molecular Properties

Compound Name2,4-bis[3-[methoxy(dimethyl)silyl]propylcarbamoyl]cyclobutane-1,3-dicarboxylic acid
PubChem CID174032206
Molecular FormulaC20H38N2O8Si2
Molecular Weight490.70 g/mol
Exact Mass490.22
IUPAC Name2,4-bis[3-[methoxy(dimethyl)silyl]propylcarbamoyl]cyclobutane-1,3-dicarboxylic acid
SMILESCO[Si](C)(C)CCCNC(=O)C1C(C(=O)O)C(C(=O)NCCC[Si](C)(C)OC)C1C(=O)O
InChIInChI=1S/C20H38N2O8Si2/c1-29-31(3,4)11-7-9-21-17(23)13-15(19(25)26)14(16(13)20(27)28)18(24)22-10-8-12-32(5,6)30-2/h13-16H,7-12H2,1-6H3,(H,21,23)(H,22,24)(H,25,26)(H,27,28)
InChIKeyJHZSIVFPGUSNOL-UHFFFAOYSA-N
XLogP1.35
TPSA151.26 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.70
LogP ≤ 51.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-bis[3-[methoxy(dimethyl)silyl]propylcarbamoyl]cyclobutane-1,3-dicarboxylic acid?
The IUPAC name of 2,4-bis[3-[methoxy(dimethyl)silyl]propylcarbamoyl]cyclobutane-1,3-dicarboxylic acid (CID 174032206) is 2,4-bis[3-[methoxy(dimethyl)silyl]propylcarbamoyl]cyclobutane-1,3-dicarboxylic acid.
What is the SMILES notation for 2,4-bis[3-[methoxy(dimethyl)silyl]propylcarbamoyl]cyclobutane-1,3-dicarboxylic acid?
The canonical SMILES for 2,4-bis[3-[methoxy(dimethyl)silyl]propylcarbamoyl]cyclobutane-1,3-dicarboxylic acid is CO[Si](C)(C)CCCNC(=O)C1C(C(=O)O)C(C(=O)NCCC[Si](C)(C)OC)C1C(=O)O.
What is the InChIKey of 2,4-bis[3-[methoxy(dimethyl)silyl]propylcarbamoyl]cyclobutane-1,3-dicarboxylic acid?
The InChIKey is JHZSIVFPGUSNOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N2O8Si2/c1-29-31(3,4)11-7-9-21-17(23)13-15(19(25)26)14(16(13)20(27)28)18(24)22-10-8-12-32(5,6)30-2/h13-16H,7-12H2,1-6H3,(H,21,23)(H,22,24)(H,25,26)(H,27,28).
What are the key properties of 2,4-bis[3-[methoxy(dimethyl)silyl]propylcarbamoyl]cyclobutane-1,3-dicarboxylic acid?
2,4-bis[3-[methoxy(dimethyl)silyl]propylcarbamoyl]cyclobutane-1,3-dicarboxylic acid has a molecular weight of 490.70 g/mol, XLogP of 1.35, 14 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis[3-[methoxy(dimethyl)silyl]propylcarbamoyl]cyclobutane-1,3-dicarboxylic acid is sourced from PubChem (CID 174032206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).