5-[2-(2-ethoxyethoxy)ethoxy]cyclopenta-1,3-diene

C11H18O3 — CID 154404410

IUPAC5-[2-(2-ethoxyethoxy)ethoxy]cyclopenta-1,3-diene
SMILESCCOCCOCCOC1C=CC=C1
InChIInChI=1S/C11H18O3/c1-2-12-7-8-13-9-10-14-11-5-3-4-6-11/h3-6,11H,2,7-10H2,1H3
InChIKeyAQMJSRNCVUTHQF-UHFFFAOYSA-N
MW198.26 g/mol
LogP1.55
Rot. Bonds8

About 5-[2-(2-ethoxyethoxy)ethoxy]cyclopenta-1,3-diene

5-[2-(2-ethoxyethoxy)ethoxy]cyclopenta-1,3-diene (PubChem CID 154404410) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is 5-[2-(2-ethoxyethoxy)ethoxy]cyclopenta-1,3-diene.

Molecular Properties

Compound Name5-[2-(2-ethoxyethoxy)ethoxy]cyclopenta-1,3-diene
PubChem CID154404410
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name5-[2-(2-ethoxyethoxy)ethoxy]cyclopenta-1,3-diene
SMILESCCOCCOCCOC1C=CC=C1
InChIInChI=1S/C11H18O3/c1-2-12-7-8-13-9-10-14-11-5-3-4-6-11/h3-6,11H,2,7-10H2,1H3
InChIKeyAQMJSRNCVUTHQF-UHFFFAOYSA-N
XLogP1.55
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 5-[2-(2-ethoxyethoxy)ethoxy]cyclopenta-1,3-diene?
The IUPAC name of 5-[2-(2-ethoxyethoxy)ethoxy]cyclopenta-1,3-diene (CID 154404410) is 5-[2-(2-ethoxyethoxy)ethoxy]cyclopenta-1,3-diene.
What is the SMILES notation for 5-[2-(2-ethoxyethoxy)ethoxy]cyclopenta-1,3-diene?
The canonical SMILES for 5-[2-(2-ethoxyethoxy)ethoxy]cyclopenta-1,3-diene is CCOCCOCCOC1C=CC=C1.
What is the InChIKey of 5-[2-(2-ethoxyethoxy)ethoxy]cyclopenta-1,3-diene?
The InChIKey is AQMJSRNCVUTHQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3/c1-2-12-7-8-13-9-10-14-11-5-3-4-6-11/h3-6,11H,2,7-10H2,1H3.
What are the key properties of 5-[2-(2-ethoxyethoxy)ethoxy]cyclopenta-1,3-diene?
5-[2-(2-ethoxyethoxy)ethoxy]cyclopenta-1,3-diene has a molecular weight of 198.26 g/mol, XLogP of 1.55, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-ethoxyethoxy)ethoxy]cyclopenta-1,3-diene is sourced from PubChem (CID 154404410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).