3-[(3-oxo-1,2-dihydroinden-5-yl)oxy]propyl 3-(3-oxo-1,2-dihydroinden-5-yl)propanoate

C24H24O5 — CID 71695593

IUPAC3-[(3-oxo-1,2-dihydroinden-5-yl)oxy]propyl 3-(3-oxo-1,2-dihydroinden-5-yl)propanoate
SMILESO=C(CCc1ccc2c(c1)C(=O)CC2)OCCCOc1ccc2c(c1)C(=O)CC2
InChIInChI=1S/C24H24O5/c25-22-9-6-17-4-2-16(14-20(17)22)3-11-24(27)29-13-1-12-28-19-8-5-18-7-10-23(26)21(18)15-19/h2,4-5,8,14-15H,1,3,6-7,9-13H2
InChIKeyMTNUKPYBMCEOIV-UHFFFAOYSA-N
MW392.45 g/mol
LogP3.89
Rot. Bonds8

About 3-[(3-oxo-1,2-dihydroinden-5-yl)oxy]propyl 3-(3-oxo-1,2-dihydroinden-5-yl)propanoate

3-[(3-oxo-1,2-dihydroinden-5-yl)oxy]propyl 3-(3-oxo-1,2-dihydroinden-5-yl)propanoate (PubChem CID 71695593) has the molecular formula C24H24O5 and a molecular weight of 392.45 g/mol. Its IUPAC name is 3-[(3-oxo-1,2-dihydroinden-5-yl)oxy]propyl 3-(3-oxo-1,2-dihydroinden-5-yl)propanoate.

Molecular Properties

Compound Name3-[(3-oxo-1,2-dihydroinden-5-yl)oxy]propyl 3-(3-oxo-1,2-dihydroinden-5-yl)propanoate
PubChem CID71695593
Molecular FormulaC24H24O5
Molecular Weight392.45 g/mol
Exact Mass392.16
IUPAC Name3-[(3-oxo-1,2-dihydroinden-5-yl)oxy]propyl 3-(3-oxo-1,2-dihydroinden-5-yl)propanoate
SMILESO=C(CCc1ccc2c(c1)C(=O)CC2)OCCCOc1ccc2c(c1)C(=O)CC2
InChIInChI=1S/C24H24O5/c25-22-9-6-17-4-2-16(14-20(17)22)3-11-24(27)29-13-1-12-28-19-8-5-18-7-10-23(26)21(18)15-19/h2,4-5,8,14-15H,1,3,6-7,9-13H2
InChIKeyMTNUKPYBMCEOIV-UHFFFAOYSA-N
XLogP3.89
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.45
LogP ≤ 53.89
H-Bond Donors ≤ 50
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 3-[(3-oxo-1,2-dihydroinden-5-yl)oxy]propyl 3-(3-oxo-1,2-dihydroinden-5-yl)propanoate?
The IUPAC name of 3-[(3-oxo-1,2-dihydroinden-5-yl)oxy]propyl 3-(3-oxo-1,2-dihydroinden-5-yl)propanoate (CID 71695593) is 3-[(3-oxo-1,2-dihydroinden-5-yl)oxy]propyl 3-(3-oxo-1,2-dihydroinden-5-yl)propanoate.
What is the SMILES notation for 3-[(3-oxo-1,2-dihydroinden-5-yl)oxy]propyl 3-(3-oxo-1,2-dihydroinden-5-yl)propanoate?
The canonical SMILES for 3-[(3-oxo-1,2-dihydroinden-5-yl)oxy]propyl 3-(3-oxo-1,2-dihydroinden-5-yl)propanoate is O=C(CCc1ccc2c(c1)C(=O)CC2)OCCCOc1ccc2c(c1)C(=O)CC2.
What is the InChIKey of 3-[(3-oxo-1,2-dihydroinden-5-yl)oxy]propyl 3-(3-oxo-1,2-dihydroinden-5-yl)propanoate?
The InChIKey is MTNUKPYBMCEOIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24O5/c25-22-9-6-17-4-2-16(14-20(17)22)3-11-24(27)29-13-1-12-28-19-8-5-18-7-10-23(26)21(18)15-19/h2,4-5,8,14-15H,1,3,6-7,9-13H2.
What are the key properties of 3-[(3-oxo-1,2-dihydroinden-5-yl)oxy]propyl 3-(3-oxo-1,2-dihydroinden-5-yl)propanoate?
3-[(3-oxo-1,2-dihydroinden-5-yl)oxy]propyl 3-(3-oxo-1,2-dihydroinden-5-yl)propanoate has a molecular weight of 392.45 g/mol, XLogP of 3.89, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-oxo-1,2-dihydroinden-5-yl)oxy]propyl 3-(3-oxo-1,2-dihydroinden-5-yl)propanoate is sourced from PubChem (CID 71695593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).