14-cyclohexyloxy-2-propylsulfanyltetradecanal

C23H44O2S — CID 91041934

IUPAC14-cyclohexyloxy-2-propylsulfanyltetradecanal
SMILESCCCSC(C=O)CCCCCCCCCCCCOC1CCCCC1
InChIInChI=1S/C23H44O2S/c1-2-20-26-23(21-24)18-14-9-7-5-3-4-6-8-10-15-19-25-22-16-12-11-13-17-22/h21-23H,2-20H2,1H3
InChIKeyTUXCIJOXRNQPFL-UHFFFAOYSA-N
MW384.67 g/mol
LogP7.34
Rot. Bonds18

About 14-cyclohexyloxy-2-propylsulfanyltetradecanal

14-cyclohexyloxy-2-propylsulfanyltetradecanal (PubChem CID 91041934) has the molecular formula C23H44O2S and a molecular weight of 384.67 g/mol. Its IUPAC name is 14-cyclohexyloxy-2-propylsulfanyltetradecanal.

Molecular Properties

Compound Name14-cyclohexyloxy-2-propylsulfanyltetradecanal
PubChem CID91041934
Molecular FormulaC23H44O2S
Molecular Weight384.67 g/mol
Exact Mass384.31
IUPAC Name14-cyclohexyloxy-2-propylsulfanyltetradecanal
SMILESCCCSC(C=O)CCCCCCCCCCCCOC1CCCCC1
InChIInChI=1S/C23H44O2S/c1-2-20-26-23(21-24)18-14-9-7-5-3-4-6-8-10-15-19-25-22-16-12-11-13-17-22/h21-23H,2-20H2,1H3
InChIKeyTUXCIJOXRNQPFL-UHFFFAOYSA-N
XLogP7.34
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.67
LogP ≤ 57.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 14-cyclohexyloxy-2-propylsulfanyltetradecanal?
The IUPAC name of 14-cyclohexyloxy-2-propylsulfanyltetradecanal (CID 91041934) is 14-cyclohexyloxy-2-propylsulfanyltetradecanal.
What is the SMILES notation for 14-cyclohexyloxy-2-propylsulfanyltetradecanal?
The canonical SMILES for 14-cyclohexyloxy-2-propylsulfanyltetradecanal is CCCSC(C=O)CCCCCCCCCCCCOC1CCCCC1.
What is the InChIKey of 14-cyclohexyloxy-2-propylsulfanyltetradecanal?
The InChIKey is TUXCIJOXRNQPFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H44O2S/c1-2-20-26-23(21-24)18-14-9-7-5-3-4-6-8-10-15-19-25-22-16-12-11-13-17-22/h21-23H,2-20H2,1H3.
What are the key properties of 14-cyclohexyloxy-2-propylsulfanyltetradecanal?
14-cyclohexyloxy-2-propylsulfanyltetradecanal has a molecular weight of 384.67 g/mol, XLogP of 7.34, 18 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 14-cyclohexyloxy-2-propylsulfanyltetradecanal is sourced from PubChem (CID 91041934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).