3-(2-ethoxyethoxy)cyclooctyne

C12H20O2 — CID 175788192

IUPAC3-(2-ethoxyethoxy)cyclooctyne
SMILESCCOCCOC1C#CCCCCC1
InChIInChI=1S/C12H20O2/c1-2-13-10-11-14-12-8-6-4-3-5-7-9-12/h12H,2-6,8,10-11H2,1H3
InChIKeyJZOGRBCCFFTRKJ-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.38
Rot. Bonds5

About 3-(2-ethoxyethoxy)cyclooctyne

3-(2-ethoxyethoxy)cyclooctyne (PubChem CID 175788192) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 3-(2-ethoxyethoxy)cyclooctyne.

Molecular Properties

Compound Name3-(2-ethoxyethoxy)cyclooctyne
PubChem CID175788192
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name3-(2-ethoxyethoxy)cyclooctyne
SMILESCCOCCOC1C#CCCCCC1
InChIInChI=1S/C12H20O2/c1-2-13-10-11-14-12-8-6-4-3-5-7-9-12/h12H,2-6,8,10-11H2,1H3
InChIKeyJZOGRBCCFFTRKJ-UHFFFAOYSA-N
XLogP2.38
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyethoxy)cyclooctyne?
The IUPAC name of 3-(2-ethoxyethoxy)cyclooctyne (CID 175788192) is 3-(2-ethoxyethoxy)cyclooctyne.
What is the SMILES notation for 3-(2-ethoxyethoxy)cyclooctyne?
The canonical SMILES for 3-(2-ethoxyethoxy)cyclooctyne is CCOCCOC1C#CCCCCC1.
What is the InChIKey of 3-(2-ethoxyethoxy)cyclooctyne?
The InChIKey is JZOGRBCCFFTRKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-2-13-10-11-14-12-8-6-4-3-5-7-9-12/h12H,2-6,8,10-11H2,1H3.
What are the key properties of 3-(2-ethoxyethoxy)cyclooctyne?
3-(2-ethoxyethoxy)cyclooctyne has a molecular weight of 196.29 g/mol, XLogP of 2.38, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyethoxy)cyclooctyne is sourced from PubChem (CID 175788192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).