2-[2-[(1-oxo-2,3-dihydroinden-5-yl)oxy]ethoxy]ethyl acetate

C15H18O5 — CID 171068203

IUPAC2-[2-[(1-oxo-2,3-dihydroinden-5-yl)oxy]ethoxy]ethyl acetate
SMILESCC(=O)OCCOCCOc1ccc2c(c1)CCC2=O
InChIInChI=1S/C15H18O5/c1-11(16)19-8-6-18-7-9-20-13-3-4-14-12(10-13)2-5-15(14)17/h3-4,10H,2,5-9H2,1H3
InChIKeyKOJVIWDXJKAUIU-UHFFFAOYSA-N
MW278.30 g/mol
LogP1.77
Rot. Bonds7

About 2-[2-[(1-oxo-2,3-dihydroinden-5-yl)oxy]ethoxy]ethyl acetate

2-[2-[(1-oxo-2,3-dihydroinden-5-yl)oxy]ethoxy]ethyl acetate (PubChem CID 171068203) has the molecular formula C15H18O5 and a molecular weight of 278.30 g/mol. Its IUPAC name is 2-[2-[(1-oxo-2,3-dihydroinden-5-yl)oxy]ethoxy]ethyl acetate.

Molecular Properties

Compound Name2-[2-[(1-oxo-2,3-dihydroinden-5-yl)oxy]ethoxy]ethyl acetate
PubChem CID171068203
Molecular FormulaC15H18O5
Molecular Weight278.30 g/mol
Exact Mass278.12
IUPAC Name2-[2-[(1-oxo-2,3-dihydroinden-5-yl)oxy]ethoxy]ethyl acetate
SMILESCC(=O)OCCOCCOc1ccc2c(c1)CCC2=O
InChIInChI=1S/C15H18O5/c1-11(16)19-8-6-18-7-9-20-13-3-4-14-12(10-13)2-5-15(14)17/h3-4,10H,2,5-9H2,1H3
InChIKeyKOJVIWDXJKAUIU-UHFFFAOYSA-N
XLogP1.77
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 51.77
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 2-[2-[(1-oxo-2,3-dihydroinden-5-yl)oxy]ethoxy]ethyl acetate?
The IUPAC name of 2-[2-[(1-oxo-2,3-dihydroinden-5-yl)oxy]ethoxy]ethyl acetate (CID 171068203) is 2-[2-[(1-oxo-2,3-dihydroinden-5-yl)oxy]ethoxy]ethyl acetate.
What is the SMILES notation for 2-[2-[(1-oxo-2,3-dihydroinden-5-yl)oxy]ethoxy]ethyl acetate?
The canonical SMILES for 2-[2-[(1-oxo-2,3-dihydroinden-5-yl)oxy]ethoxy]ethyl acetate is CC(=O)OCCOCCOc1ccc2c(c1)CCC2=O.
What is the InChIKey of 2-[2-[(1-oxo-2,3-dihydroinden-5-yl)oxy]ethoxy]ethyl acetate?
The InChIKey is KOJVIWDXJKAUIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O5/c1-11(16)19-8-6-18-7-9-20-13-3-4-14-12(10-13)2-5-15(14)17/h3-4,10H,2,5-9H2,1H3.
What are the key properties of 2-[2-[(1-oxo-2,3-dihydroinden-5-yl)oxy]ethoxy]ethyl acetate?
2-[2-[(1-oxo-2,3-dihydroinden-5-yl)oxy]ethoxy]ethyl acetate has a molecular weight of 278.30 g/mol, XLogP of 1.77, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1-oxo-2,3-dihydroinden-5-yl)oxy]ethoxy]ethyl acetate is sourced from PubChem (CID 171068203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).