4-(2-ethoxyethoxy)-2-[7-(2-ethoxyethoxy)heptyl]cyclopent-2-en-1-one

C20H36O5 — CID 20515555

IUPAC4-(2-ethoxyethoxy)-2-[7-(2-ethoxyethoxy)heptyl]cyclopent-2-en-1-one
SMILESCCOCCOCCCCCCCC1=CC(OCCOCC)CC1=O
InChIInChI=1S/C20H36O5/c1-3-22-12-13-24-11-9-7-5-6-8-10-18-16-19(17-20(18)21)25-15-14-23-4-2/h16,19H,3-15,17H2,1-2H3
InChIKeyAEYJMOJXGUUSKW-UHFFFAOYSA-N
MW356.50 g/mol
LogP3.70
Rot. Bonds17

About 4-(2-ethoxyethoxy)-2-[7-(2-ethoxyethoxy)heptyl]cyclopent-2-en-1-one

4-(2-ethoxyethoxy)-2-[7-(2-ethoxyethoxy)heptyl]cyclopent-2-en-1-one (PubChem CID 20515555) has the molecular formula C20H36O5 and a molecular weight of 356.50 g/mol. Its IUPAC name is 4-(2-ethoxyethoxy)-2-[7-(2-ethoxyethoxy)heptyl]cyclopent-2-en-1-one.

Molecular Properties

Compound Name4-(2-ethoxyethoxy)-2-[7-(2-ethoxyethoxy)heptyl]cyclopent-2-en-1-one
PubChem CID20515555
Molecular FormulaC20H36O5
Molecular Weight356.50 g/mol
Exact Mass356.26
IUPAC Name4-(2-ethoxyethoxy)-2-[7-(2-ethoxyethoxy)heptyl]cyclopent-2-en-1-one
SMILESCCOCCOCCCCCCCC1=CC(OCCOCC)CC1=O
InChIInChI=1S/C20H36O5/c1-3-22-12-13-24-11-9-7-5-6-8-10-18-16-19(17-20(18)21)25-15-14-23-4-2/h16,19H,3-15,17H2,1-2H3
InChIKeyAEYJMOJXGUUSKW-UHFFFAOYSA-N
XLogP3.70
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds17
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.50
LogP ≤ 53.70
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 4-(2-ethoxyethoxy)-2-[7-(2-ethoxyethoxy)heptyl]cyclopent-2-en-1-one?
The IUPAC name of 4-(2-ethoxyethoxy)-2-[7-(2-ethoxyethoxy)heptyl]cyclopent-2-en-1-one (CID 20515555) is 4-(2-ethoxyethoxy)-2-[7-(2-ethoxyethoxy)heptyl]cyclopent-2-en-1-one.
What is the SMILES notation for 4-(2-ethoxyethoxy)-2-[7-(2-ethoxyethoxy)heptyl]cyclopent-2-en-1-one?
The canonical SMILES for 4-(2-ethoxyethoxy)-2-[7-(2-ethoxyethoxy)heptyl]cyclopent-2-en-1-one is CCOCCOCCCCCCCC1=CC(OCCOCC)CC1=O.
What is the InChIKey of 4-(2-ethoxyethoxy)-2-[7-(2-ethoxyethoxy)heptyl]cyclopent-2-en-1-one?
The InChIKey is AEYJMOJXGUUSKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36O5/c1-3-22-12-13-24-11-9-7-5-6-8-10-18-16-19(17-20(18)21)25-15-14-23-4-2/h16,19H,3-15,17H2,1-2H3.
What are the key properties of 4-(2-ethoxyethoxy)-2-[7-(2-ethoxyethoxy)heptyl]cyclopent-2-en-1-one?
4-(2-ethoxyethoxy)-2-[7-(2-ethoxyethoxy)heptyl]cyclopent-2-en-1-one has a molecular weight of 356.50 g/mol, XLogP of 3.70, 17 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxyethoxy)-2-[7-(2-ethoxyethoxy)heptyl]cyclopent-2-en-1-one is sourced from PubChem (CID 20515555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).