ethyl 2-(1-cyclohexyl-3-oxo-1,2-dihydroinden-5-yl)propanoate

C20H26O3 — CID 90675234

IUPACethyl 2-(1-cyclohexyl-3-oxo-1,2-dihydroinden-5-yl)propanoate
SMILESCCOC(=O)C(C)c1ccc2c(c1)C(=O)CC2C1CCCCC1
InChIInChI=1S/C20H26O3/c1-3-23-20(22)13(2)15-9-10-16-17(12-19(21)18(16)11-15)14-7-5-4-6-8-14/h9-11,13-14,17H,3-8,12H2,1-2H3
InChIKeyQIMXCJFLQAXXGH-UHFFFAOYSA-N
MW314.43 g/mol
LogP4.60
Rot. Bonds4

About ethyl 2-(1-cyclohexyl-3-oxo-1,2-dihydroinden-5-yl)propanoate

ethyl 2-(1-cyclohexyl-3-oxo-1,2-dihydroinden-5-yl)propanoate (PubChem CID 90675234) has the molecular formula C20H26O3 and a molecular weight of 314.43 g/mol. Its IUPAC name is ethyl 2-(1-cyclohexyl-3-oxo-1,2-dihydroinden-5-yl)propanoate.

Molecular Properties

Compound Nameethyl 2-(1-cyclohexyl-3-oxo-1,2-dihydroinden-5-yl)propanoate
PubChem CID90675234
Molecular FormulaC20H26O3
Molecular Weight314.43 g/mol
Exact Mass314.19
IUPAC Nameethyl 2-(1-cyclohexyl-3-oxo-1,2-dihydroinden-5-yl)propanoate
SMILESCCOC(=O)C(C)c1ccc2c(c1)C(=O)CC2C1CCCCC1
InChIInChI=1S/C20H26O3/c1-3-23-20(22)13(2)15-9-10-16-17(12-19(21)18(16)11-15)14-7-5-4-6-8-14/h9-11,13-14,17H,3-8,12H2,1-2H3
InChIKeyQIMXCJFLQAXXGH-UHFFFAOYSA-N
XLogP4.60
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1-cyclohexyl-3-oxo-1,2-dihydroinden-5-yl)propanoate?
The IUPAC name of ethyl 2-(1-cyclohexyl-3-oxo-1,2-dihydroinden-5-yl)propanoate (CID 90675234) is ethyl 2-(1-cyclohexyl-3-oxo-1,2-dihydroinden-5-yl)propanoate.
What is the SMILES notation for ethyl 2-(1-cyclohexyl-3-oxo-1,2-dihydroinden-5-yl)propanoate?
The canonical SMILES for ethyl 2-(1-cyclohexyl-3-oxo-1,2-dihydroinden-5-yl)propanoate is CCOC(=O)C(C)c1ccc2c(c1)C(=O)CC2C1CCCCC1.
What is the InChIKey of ethyl 2-(1-cyclohexyl-3-oxo-1,2-dihydroinden-5-yl)propanoate?
The InChIKey is QIMXCJFLQAXXGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O3/c1-3-23-20(22)13(2)15-9-10-16-17(12-19(21)18(16)11-15)14-7-5-4-6-8-14/h9-11,13-14,17H,3-8,12H2,1-2H3.
What are the key properties of ethyl 2-(1-cyclohexyl-3-oxo-1,2-dihydroinden-5-yl)propanoate?
ethyl 2-(1-cyclohexyl-3-oxo-1,2-dihydroinden-5-yl)propanoate has a molecular weight of 314.43 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1-cyclohexyl-3-oxo-1,2-dihydroinden-5-yl)propanoate is sourced from PubChem (CID 90675234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).