2-(2-cyclooctyloxyethoxy)thiophene

C14H22O2S — CID 19004463

IUPAC2-(2-cyclooctyloxyethoxy)thiophene
SMILESc1csc(OCCOC2CCCCCCC2)c1
InChIInChI=1S/C14H22O2S/c1-2-4-7-13(8-5-3-1)15-10-11-16-14-9-6-12-17-14/h6,9,12-13H,1-5,7-8,10-11H2
InChIKeyNKNYNMPCDGWUDV-UHFFFAOYSA-N
MW254.39 g/mol
LogP4.26
Rot. Bonds5

About 2-(2-cyclooctyloxyethoxy)thiophene

2-(2-cyclooctyloxyethoxy)thiophene (PubChem CID 19004463) has the molecular formula C14H22O2S and a molecular weight of 254.39 g/mol. Its IUPAC name is 2-(2-cyclooctyloxyethoxy)thiophene.

Molecular Properties

Compound Name2-(2-cyclooctyloxyethoxy)thiophene
PubChem CID19004463
Molecular FormulaC14H22O2S
Molecular Weight254.39 g/mol
Exact Mass254.13
IUPAC Name2-(2-cyclooctyloxyethoxy)thiophene
SMILESc1csc(OCCOC2CCCCCCC2)c1
InChIInChI=1S/C14H22O2S/c1-2-4-7-13(8-5-3-1)15-10-11-16-14-9-6-12-17-14/h6,9,12-13H,1-5,7-8,10-11H2
InChIKeyNKNYNMPCDGWUDV-UHFFFAOYSA-N
XLogP4.26
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.39
LogP ≤ 54.26
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 2-(2-cyclooctyloxyethoxy)thiophene?
The IUPAC name of 2-(2-cyclooctyloxyethoxy)thiophene (CID 19004463) is 2-(2-cyclooctyloxyethoxy)thiophene.
What is the SMILES notation for 2-(2-cyclooctyloxyethoxy)thiophene?
The canonical SMILES for 2-(2-cyclooctyloxyethoxy)thiophene is c1csc(OCCOC2CCCCCCC2)c1.
What is the InChIKey of 2-(2-cyclooctyloxyethoxy)thiophene?
The InChIKey is NKNYNMPCDGWUDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2S/c1-2-4-7-13(8-5-3-1)15-10-11-16-14-9-6-12-17-14/h6,9,12-13H,1-5,7-8,10-11H2.
What are the key properties of 2-(2-cyclooctyloxyethoxy)thiophene?
2-(2-cyclooctyloxyethoxy)thiophene has a molecular weight of 254.39 g/mol, XLogP of 4.26, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclooctyloxyethoxy)thiophene is sourced from PubChem (CID 19004463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).