[2-(1-ethylcyclopentyl)oxy-2-oxoethyl] acenaphthylene-5-carboxylate

C22H22O4 — CID 177097556

IUPAC[2-(1-ethylcyclopentyl)oxy-2-oxoethyl] acenaphthylene-5-carboxylate
SMILESCCC1(OC(=O)COC(=O)c2ccc3c4c(cccc24)C=C3)CCCC1
InChIInChI=1S/C22H22O4/c1-2-22(12-3-4-13-22)26-19(23)14-25-21(24)18-11-10-16-9-8-15-6-5-7-17(18)20(15)16/h5-11H,2-4,12-14H2,1H3
InChIKeyHAEXQWYEHWLSEV-UHFFFAOYSA-N
MW350.41 g/mol
LogP4.75
Rot. Bonds5

About [2-(1-ethylcyclopentyl)oxy-2-oxoethyl] acenaphthylene-5-carboxylate

[2-(1-ethylcyclopentyl)oxy-2-oxoethyl] acenaphthylene-5-carboxylate (PubChem CID 177097556) has the molecular formula C22H22O4 and a molecular weight of 350.41 g/mol. Its IUPAC name is [2-(1-ethylcyclopentyl)oxy-2-oxoethyl] acenaphthylene-5-carboxylate.

Molecular Properties

Compound Name[2-(1-ethylcyclopentyl)oxy-2-oxoethyl] acenaphthylene-5-carboxylate
PubChem CID177097556
Molecular FormulaC22H22O4
Molecular Weight350.41 g/mol
Exact Mass350.15
IUPAC Name[2-(1-ethylcyclopentyl)oxy-2-oxoethyl] acenaphthylene-5-carboxylate
SMILESCCC1(OC(=O)COC(=O)c2ccc3c4c(cccc24)C=C3)CCCC1
InChIInChI=1S/C22H22O4/c1-2-22(12-3-4-13-22)26-19(23)14-25-21(24)18-11-10-16-9-8-15-6-5-7-17(18)20(15)16/h5-11H,2-4,12-14H2,1H3
InChIKeyHAEXQWYEHWLSEV-UHFFFAOYSA-N
XLogP4.75
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.41
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(1-ethylcyclopentyl)oxy-2-oxoethyl] acenaphthylene-5-carboxylate?
The IUPAC name of [2-(1-ethylcyclopentyl)oxy-2-oxoethyl] acenaphthylene-5-carboxylate (CID 177097556) is [2-(1-ethylcyclopentyl)oxy-2-oxoethyl] acenaphthylene-5-carboxylate.
What is the SMILES notation for [2-(1-ethylcyclopentyl)oxy-2-oxoethyl] acenaphthylene-5-carboxylate?
The canonical SMILES for [2-(1-ethylcyclopentyl)oxy-2-oxoethyl] acenaphthylene-5-carboxylate is CCC1(OC(=O)COC(=O)c2ccc3c4c(cccc24)C=C3)CCCC1.
What is the InChIKey of [2-(1-ethylcyclopentyl)oxy-2-oxoethyl] acenaphthylene-5-carboxylate?
The InChIKey is HAEXQWYEHWLSEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22O4/c1-2-22(12-3-4-13-22)26-19(23)14-25-21(24)18-11-10-16-9-8-15-6-5-7-17(18)20(15)16/h5-11H,2-4,12-14H2,1H3.
What are the key properties of [2-(1-ethylcyclopentyl)oxy-2-oxoethyl] acenaphthylene-5-carboxylate?
[2-(1-ethylcyclopentyl)oxy-2-oxoethyl] acenaphthylene-5-carboxylate has a molecular weight of 350.41 g/mol, XLogP of 4.75, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-ethylcyclopentyl)oxy-2-oxoethyl] acenaphthylene-5-carboxylate is sourced from PubChem (CID 177097556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).