2-[3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy-dimethylsilyl]propyl]propanedioic acid

C19H38O10Si — CID 158916494

IUPAC2-[3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy-dimethylsilyl]propyl]propanedioic acid
SMILESCOCCOCCOCCOCCOCCO[Si](C)(C)CCCC(C(=O)O)C(=O)O
InChIInChI=1S/C19H38O10Si/c1-24-6-7-25-8-9-26-10-11-27-12-13-28-14-15-29-30(2,3)16-4-5-17(18(20)21)19(22)23/h17H,4-16H2,1-3H3,(H,20,21)(H,22,23)
InChIKeyJHHGKYQEQHOFLZ-UHFFFAOYSA-N
MW454.59 g/mol
LogP1.49
Rot. Bonds22

About 2-[3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy-dimethylsilyl]propyl]propanedioic acid

2-[3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy-dimethylsilyl]propyl]propanedioic acid (PubChem CID 158916494) has the molecular formula C19H38O10Si and a molecular weight of 454.59 g/mol. Its IUPAC name is 2-[3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy-dimethylsilyl]propyl]propanedioic acid.

Molecular Properties

Compound Name2-[3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy-dimethylsilyl]propyl]propanedioic acid
PubChem CID158916494
Molecular FormulaC19H38O10Si
Molecular Weight454.59 g/mol
Exact Mass454.22
IUPAC Name2-[3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy-dimethylsilyl]propyl]propanedioic acid
SMILESCOCCOCCOCCOCCOCCO[Si](C)(C)CCCC(C(=O)O)C(=O)O
InChIInChI=1S/C19H38O10Si/c1-24-6-7-25-8-9-26-10-11-27-12-13-28-14-15-29-30(2,3)16-4-5-17(18(20)21)19(22)23/h17H,4-16H2,1-3H3,(H,20,21)(H,22,23)
InChIKeyJHHGKYQEQHOFLZ-UHFFFAOYSA-N
XLogP1.49
TPSA129.98 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds22
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.59
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy-dimethylsilyl]propyl]propanedioic acid?
The IUPAC name of 2-[3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy-dimethylsilyl]propyl]propanedioic acid (CID 158916494) is 2-[3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy-dimethylsilyl]propyl]propanedioic acid.
What is the SMILES notation for 2-[3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy-dimethylsilyl]propyl]propanedioic acid?
The canonical SMILES for 2-[3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy-dimethylsilyl]propyl]propanedioic acid is COCCOCCOCCOCCOCCO[Si](C)(C)CCCC(C(=O)O)C(=O)O.
What is the InChIKey of 2-[3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy-dimethylsilyl]propyl]propanedioic acid?
The InChIKey is JHHGKYQEQHOFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38O10Si/c1-24-6-7-25-8-9-26-10-11-27-12-13-28-14-15-29-30(2,3)16-4-5-17(18(20)21)19(22)23/h17H,4-16H2,1-3H3,(H,20,21)(H,22,23).
What are the key properties of 2-[3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy-dimethylsilyl]propyl]propanedioic acid?
2-[3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy-dimethylsilyl]propyl]propanedioic acid has a molecular weight of 454.59 g/mol, XLogP of 1.49, 22 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy-dimethylsilyl]propyl]propanedioic acid is sourced from PubChem (CID 158916494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).