3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanal;ethane;methanol;pyrrolidine-2,5-dione

C38H82N2O16 — CID 142619667

IUPAC3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanal;ethane;methanol;pyrrolidine-2,5-dione
SMILESCC.CC.CC.CO.NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC=O.O=C1CCC(=O)N1
InChIInChI=1S/C27H55NO13.C4H5NO2.3C2H6.CH4O/c28-2-5-31-7-9-33-11-13-35-15-17-37-19-21-39-23-25-41-27-26-40-24-22-38-20-18-36-16-14-34-12-10-32-8-6-30-4-1-3-29;6-3-1-2-4(7)5-3;4*1-2/h3H,1-2,4-28H2;1-2H2,(H,5,6,7);3*1-2H3;2H,1H3
InChIKeyCYQHKTDWZDPDJK-UHFFFAOYSA-N
MW823.07 g/mol
LogP1.84
Rot. Bonds38

About 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanal;ethane;methanol;pyrrolidine-2,5-dione

3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanal;ethane;methanol;pyrrolidine-2,5-dione (PubChem CID 142619667) has the molecular formula C38H82N2O16 and a molecular weight of 823.07 g/mol. Its IUPAC name is 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanal;ethane;methanol;pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanal;ethane;methanol;pyrrolidine-2,5-dione
PubChem CID142619667
Molecular FormulaC38H82N2O16
Molecular Weight823.07 g/mol
Exact Mass822.57
IUPAC Name3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanal;ethane;methanol;pyrrolidine-2,5-dione
SMILESCC.CC.CC.CO.NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC=O.O=C1CCC(=O)N1
InChIInChI=1S/C27H55NO13.C4H5NO2.3C2H6.CH4O/c28-2-5-31-7-9-33-11-13-35-15-17-37-19-21-39-23-25-41-27-26-40-24-22-38-20-18-36-16-14-34-12-10-32-8-6-30-4-1-3-29;6-3-1-2-4(7)5-3;4*1-2/h3H,1-2,4-28H2;1-2H2,(H,5,6,7);3*1-2H3;2H,1H3
InChIKeyCYQHKTDWZDPDJK-UHFFFAOYSA-N
XLogP1.84
TPSA220.25 Ų
H-Bond Donors3
H-Bond Acceptors17
Rotatable Bonds38
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500823.07
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanal;ethane;methanol;pyrrolidine-2,5-dione with MolForge

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Related Compounds

3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-Aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanal;1-methoxypyrrolidine-2,5-dione
CID 142619626
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-Aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid;pyrrolidine-2,5-dione
CID 142619725
3-[2-[2-[2-(2-Aminoethoxy)ethoxy]ethoxy]ethoxy]propanal;1-methoxypyrrolidine-2,5-dione
CID 164573309

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanal;ethane;methanol;pyrrolidine-2,5-dione?
The IUPAC name of 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanal;ethane;methanol;pyrrolidine-2,5-dione (CID 142619667) is 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanal;ethane;methanol;pyrrolidine-2,5-dione.
What is the SMILES notation for 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanal;ethane;methanol;pyrrolidine-2,5-dione?
The canonical SMILES for 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanal;ethane;methanol;pyrrolidine-2,5-dione is CC.CC.CC.CO.NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC=O.O=C1CCC(=O)N1.
What is the InChIKey of 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanal;ethane;methanol;pyrrolidine-2,5-dione?
The InChIKey is CYQHKTDWZDPDJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H55NO13.C4H5NO2.3C2H6.CH4O/c28-2-5-31-7-9-33-11-13-35-15-17-37-19-21-39-23-25-41-27-26-40-24-22-38-20-18-36-16-14-34-12-10-32-8-6-30-4-1-3-29;6-3-1-2-4(7)5-3;4*1-2/h3H,1-2,4-28H2;1-2H2,(H,5,6,7);3*1-2H3;2H,1H3.
What are the key properties of 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanal;ethane;methanol;pyrrolidine-2,5-dione?
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanal;ethane;methanol;pyrrolidine-2,5-dione has a molecular weight of 823.07 g/mol, XLogP of 1.84, 38 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanal;ethane;methanol;pyrrolidine-2,5-dione is sourced from PubChem (CID 142619667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).