7-(6-cyclohexylhexyl)-5-ethoxy-2H-chromene

C23H34O2 — CID 90960111

IUPAC7-(6-cyclohexylhexyl)-5-ethoxy-2H-chromene
SMILESCCOc1cc(CCCCCCC2CCCCC2)cc2c1C=CCO2
InChIInChI=1S/C23H34O2/c1-2-24-22-17-20(18-23-21(22)15-10-16-25-23)14-7-4-3-6-11-19-12-8-5-9-13-19/h10,15,17-19H,2-9,11-14,16H2,1H3
InChIKeyCTONQOVEZDGYLR-UHFFFAOYSA-N
MW342.52 g/mol
LogP6.56
Rot. Bonds9

About 7-(6-cyclohexylhexyl)-5-ethoxy-2H-chromene

7-(6-cyclohexylhexyl)-5-ethoxy-2H-chromene (PubChem CID 90960111) has the molecular formula C23H34O2 and a molecular weight of 342.52 g/mol. Its IUPAC name is 7-(6-cyclohexylhexyl)-5-ethoxy-2H-chromene.

Molecular Properties

Compound Name7-(6-cyclohexylhexyl)-5-ethoxy-2H-chromene
PubChem CID90960111
Molecular FormulaC23H34O2
Molecular Weight342.52 g/mol
Exact Mass342.26
IUPAC Name7-(6-cyclohexylhexyl)-5-ethoxy-2H-chromene
SMILESCCOc1cc(CCCCCCC2CCCCC2)cc2c1C=CCO2
InChIInChI=1S/C23H34O2/c1-2-24-22-17-20(18-23-21(22)15-10-16-25-23)14-7-4-3-6-11-19-12-8-5-9-13-19/h10,15,17-19H,2-9,11-14,16H2,1H3
InChIKeyCTONQOVEZDGYLR-UHFFFAOYSA-N
XLogP6.56
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.52
LogP ≤ 56.56
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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Related Compounds

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1-(3-cyclohexylpropyl)-4-ethoxybenzene
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1-(10-cyclohexyldecyl)-4-iodobenzene
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tetradecylcycloundecane
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Frequently Asked Questions

What is the IUPAC name of 7-(6-cyclohexylhexyl)-5-ethoxy-2H-chromene?
The IUPAC name of 7-(6-cyclohexylhexyl)-5-ethoxy-2H-chromene (CID 90960111) is 7-(6-cyclohexylhexyl)-5-ethoxy-2H-chromene.
What is the SMILES notation for 7-(6-cyclohexylhexyl)-5-ethoxy-2H-chromene?
The canonical SMILES for 7-(6-cyclohexylhexyl)-5-ethoxy-2H-chromene is CCOc1cc(CCCCCCC2CCCCC2)cc2c1C=CCO2.
What is the InChIKey of 7-(6-cyclohexylhexyl)-5-ethoxy-2H-chromene?
The InChIKey is CTONQOVEZDGYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34O2/c1-2-24-22-17-20(18-23-21(22)15-10-16-25-23)14-7-4-3-6-11-19-12-8-5-9-13-19/h10,15,17-19H,2-9,11-14,16H2,1H3.
What are the key properties of 7-(6-cyclohexylhexyl)-5-ethoxy-2H-chromene?
7-(6-cyclohexylhexyl)-5-ethoxy-2H-chromene has a molecular weight of 342.52 g/mol, XLogP of 6.56, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(6-cyclohexylhexyl)-5-ethoxy-2H-chromene is sourced from PubChem (CID 90960111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).