1-[2-[2-(2-cyclopenta-1,2,4-trien-1-ylethoxy)ethoxy]ethyl]cyclopenta-1,2,4-triene

C16H18O2 — CID 177448343

IUPAC1-[2-[2-(2-cyclopenta-1,2,4-trien-1-ylethoxy)ethoxy]ethyl]cyclopenta-1,2,4-triene
SMILESC1=CC=CC=1CCOCCOCCC1=C=CC=C1
InChIInChI=1S/C16H18O2/c1-2-6-15(5-1)9-11-17-13-14-18-12-10-16-7-3-4-8-16/h1-5,7H,9-14H2
InChIKeySAASMSGIHZUAFT-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.10
Rot. Bonds9

About 1-[2-[2-(2-cyclopenta-1,2,4-trien-1-ylethoxy)ethoxy]ethyl]cyclopenta-1,2,4-triene

1-[2-[2-(2-cyclopenta-1,2,4-trien-1-ylethoxy)ethoxy]ethyl]cyclopenta-1,2,4-triene (PubChem CID 177448343) has the molecular formula C16H18O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-[2-[2-(2-cyclopenta-1,2,4-trien-1-ylethoxy)ethoxy]ethyl]cyclopenta-1,2,4-triene.

Molecular Properties

Compound Name1-[2-[2-(2-cyclopenta-1,2,4-trien-1-ylethoxy)ethoxy]ethyl]cyclopenta-1,2,4-triene
PubChem CID177448343
Molecular FormulaC16H18O2
Molecular Weight242.32 g/mol
Exact Mass242.13
IUPAC Name1-[2-[2-(2-cyclopenta-1,2,4-trien-1-ylethoxy)ethoxy]ethyl]cyclopenta-1,2,4-triene
SMILESC1=CC=CC=1CCOCCOCCC1=C=CC=C1
InChIInChI=1S/C16H18O2/c1-2-6-15(5-1)9-11-17-13-14-18-12-10-16-7-3-4-8-16/h1-5,7H,9-14H2
InChIKeySAASMSGIHZUAFT-UHFFFAOYSA-N
XLogP3.10
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 1-[2-[2-(2-cyclopenta-1,2,4-trien-1-ylethoxy)ethoxy]ethyl]cyclopenta-1,2,4-triene?
The IUPAC name of 1-[2-[2-(2-cyclopenta-1,2,4-trien-1-ylethoxy)ethoxy]ethyl]cyclopenta-1,2,4-triene (CID 177448343) is 1-[2-[2-(2-cyclopenta-1,2,4-trien-1-ylethoxy)ethoxy]ethyl]cyclopenta-1,2,4-triene.
What is the SMILES notation for 1-[2-[2-(2-cyclopenta-1,2,4-trien-1-ylethoxy)ethoxy]ethyl]cyclopenta-1,2,4-triene?
The canonical SMILES for 1-[2-[2-(2-cyclopenta-1,2,4-trien-1-ylethoxy)ethoxy]ethyl]cyclopenta-1,2,4-triene is C1=CC=CC=1CCOCCOCCC1=C=CC=C1.
What is the InChIKey of 1-[2-[2-(2-cyclopenta-1,2,4-trien-1-ylethoxy)ethoxy]ethyl]cyclopenta-1,2,4-triene?
The InChIKey is SAASMSGIHZUAFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O2/c1-2-6-15(5-1)9-11-17-13-14-18-12-10-16-7-3-4-8-16/h1-5,7H,9-14H2.
What are the key properties of 1-[2-[2-(2-cyclopenta-1,2,4-trien-1-ylethoxy)ethoxy]ethyl]cyclopenta-1,2,4-triene?
1-[2-[2-(2-cyclopenta-1,2,4-trien-1-ylethoxy)ethoxy]ethyl]cyclopenta-1,2,4-triene has a molecular weight of 242.32 g/mol, XLogP of 3.10, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2-cyclopenta-1,2,4-trien-1-ylethoxy)ethoxy]ethyl]cyclopenta-1,2,4-triene is sourced from PubChem (CID 177448343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).