10-cyclohexyloxy-2-propylsulfanyldecanal

C19H36O2S — CID 91203379

IUPAC10-cyclohexyloxy-2-propylsulfanyldecanal
SMILESCCCSC(C=O)CCCCCCCCOC1CCCCC1
InChIInChI=1S/C19H36O2S/c1-2-16-22-19(17-20)14-10-5-3-4-6-11-15-21-18-12-8-7-9-13-18/h17-19H,2-16H2,1H3
InChIKeyAONGXCZTQVNRDS-UHFFFAOYSA-N
MW328.56 g/mol
LogP5.78
Rot. Bonds14

About 10-cyclohexyloxy-2-propylsulfanyldecanal

10-cyclohexyloxy-2-propylsulfanyldecanal (PubChem CID 91203379) has the molecular formula C19H36O2S and a molecular weight of 328.56 g/mol. Its IUPAC name is 10-cyclohexyloxy-2-propylsulfanyldecanal.

Molecular Properties

Compound Name10-cyclohexyloxy-2-propylsulfanyldecanal
PubChem CID91203379
Molecular FormulaC19H36O2S
Molecular Weight328.56 g/mol
Exact Mass328.24
IUPAC Name10-cyclohexyloxy-2-propylsulfanyldecanal
SMILESCCCSC(C=O)CCCCCCCCOC1CCCCC1
InChIInChI=1S/C19H36O2S/c1-2-16-22-19(17-20)14-10-5-3-4-6-11-15-21-18-12-8-7-9-13-18/h17-19H,2-16H2,1H3
InChIKeyAONGXCZTQVNRDS-UHFFFAOYSA-N
XLogP5.78
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.56
LogP ≤ 55.78
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 10-cyclohexyloxy-2-propylsulfanyldecanal?
The IUPAC name of 10-cyclohexyloxy-2-propylsulfanyldecanal (CID 91203379) is 10-cyclohexyloxy-2-propylsulfanyldecanal.
What is the SMILES notation for 10-cyclohexyloxy-2-propylsulfanyldecanal?
The canonical SMILES for 10-cyclohexyloxy-2-propylsulfanyldecanal is CCCSC(C=O)CCCCCCCCOC1CCCCC1.
What is the InChIKey of 10-cyclohexyloxy-2-propylsulfanyldecanal?
The InChIKey is AONGXCZTQVNRDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36O2S/c1-2-16-22-19(17-20)14-10-5-3-4-6-11-15-21-18-12-8-7-9-13-18/h17-19H,2-16H2,1H3.
What are the key properties of 10-cyclohexyloxy-2-propylsulfanyldecanal?
10-cyclohexyloxy-2-propylsulfanyldecanal has a molecular weight of 328.56 g/mol, XLogP of 5.78, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-cyclohexyloxy-2-propylsulfanyldecanal is sourced from PubChem (CID 91203379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).