8-[2-(2-aminoethoxy)ethoxy]octane-2,5-dione

C12H23NO4 — CID 58325784

IUPAC8-[2-(2-aminoethoxy)ethoxy]octane-2,5-dione
SMILESCC(=O)CCC(=O)CCCOCCOCCN
InChIInChI=1S/C12H23NO4/c1-11(14)4-5-12(15)3-2-7-16-9-10-17-8-6-13/h2-10,13H2,1H3
InChIKeyOPCYOOOOLROFTI-UHFFFAOYSA-N
MW245.32 g/mol
LogP0.70
Rot. Bonds12

About 8-[2-(2-aminoethoxy)ethoxy]octane-2,5-dione

8-[2-(2-aminoethoxy)ethoxy]octane-2,5-dione (PubChem CID 58325784) has the molecular formula C12H23NO4 and a molecular weight of 245.32 g/mol. Its IUPAC name is 8-[2-(2-aminoethoxy)ethoxy]octane-2,5-dione.

Molecular Properties

Compound Name8-[2-(2-aminoethoxy)ethoxy]octane-2,5-dione
PubChem CID58325784
Molecular FormulaC12H23NO4
Molecular Weight245.32 g/mol
Exact Mass245.16
IUPAC Name8-[2-(2-aminoethoxy)ethoxy]octane-2,5-dione
SMILESCC(=O)CCC(=O)CCCOCCOCCN
InChIInChI=1S/C12H23NO4/c1-11(14)4-5-12(15)3-2-7-16-9-10-17-8-6-13/h2-10,13H2,1H3
InChIKeyOPCYOOOOLROFTI-UHFFFAOYSA-N
XLogP0.70
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-[2-(2-aminoethoxy)ethoxy]octane-2,5-dione?
The IUPAC name of 8-[2-(2-aminoethoxy)ethoxy]octane-2,5-dione (CID 58325784) is 8-[2-(2-aminoethoxy)ethoxy]octane-2,5-dione.
What is the SMILES notation for 8-[2-(2-aminoethoxy)ethoxy]octane-2,5-dione?
The canonical SMILES for 8-[2-(2-aminoethoxy)ethoxy]octane-2,5-dione is CC(=O)CCC(=O)CCCOCCOCCN.
What is the InChIKey of 8-[2-(2-aminoethoxy)ethoxy]octane-2,5-dione?
The InChIKey is OPCYOOOOLROFTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO4/c1-11(14)4-5-12(15)3-2-7-16-9-10-17-8-6-13/h2-10,13H2,1H3.
What are the key properties of 8-[2-(2-aminoethoxy)ethoxy]octane-2,5-dione?
8-[2-(2-aminoethoxy)ethoxy]octane-2,5-dione has a molecular weight of 245.32 g/mol, XLogP of 0.70, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(2-aminoethoxy)ethoxy]octane-2,5-dione is sourced from PubChem (CID 58325784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).