2-chloro-16-cyclohexyloxyhexadecanal

C22H41ClO2 — CID 91403014

IUPAC2-chloro-16-cyclohexyloxyhexadecanal
SMILESO=CC(Cl)CCCCCCCCCCCCCCOC1CCCCC1
InChIInChI=1S/C22H41ClO2/c23-21(20-24)16-12-9-7-5-3-1-2-4-6-8-10-15-19-25-22-17-13-11-14-18-22/h20-22H,1-19H2
InChIKeyTUIJDTCRSFKKCV-UHFFFAOYSA-N
MW373.02 g/mol
LogP7.21
Rot. Bonds17

About 2-chloro-16-cyclohexyloxyhexadecanal

2-chloro-16-cyclohexyloxyhexadecanal (PubChem CID 91403014) has the molecular formula C22H41ClO2 and a molecular weight of 373.02 g/mol. Its IUPAC name is 2-chloro-16-cyclohexyloxyhexadecanal.

Molecular Properties

Compound Name2-chloro-16-cyclohexyloxyhexadecanal
PubChem CID91403014
Molecular FormulaC22H41ClO2
Molecular Weight373.02 g/mol
Exact Mass372.28
IUPAC Name2-chloro-16-cyclohexyloxyhexadecanal
SMILESO=CC(Cl)CCCCCCCCCCCCCCOC1CCCCC1
InChIInChI=1S/C22H41ClO2/c23-21(20-24)16-12-9-7-5-3-1-2-4-6-8-10-15-19-25-22-17-13-11-14-18-22/h20-22H,1-19H2
InChIKeyTUIJDTCRSFKKCV-UHFFFAOYSA-N
XLogP7.21
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.02
LogP ≤ 57.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-16-cyclohexyloxyhexadecanal?
The IUPAC name of 2-chloro-16-cyclohexyloxyhexadecanal (CID 91403014) is 2-chloro-16-cyclohexyloxyhexadecanal.
What is the SMILES notation for 2-chloro-16-cyclohexyloxyhexadecanal?
The canonical SMILES for 2-chloro-16-cyclohexyloxyhexadecanal is O=CC(Cl)CCCCCCCCCCCCCCOC1CCCCC1.
What is the InChIKey of 2-chloro-16-cyclohexyloxyhexadecanal?
The InChIKey is TUIJDTCRSFKKCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H41ClO2/c23-21(20-24)16-12-9-7-5-3-1-2-4-6-8-10-15-19-25-22-17-13-11-14-18-22/h20-22H,1-19H2.
What are the key properties of 2-chloro-16-cyclohexyloxyhexadecanal?
2-chloro-16-cyclohexyloxyhexadecanal has a molecular weight of 373.02 g/mol, XLogP of 7.21, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-16-cyclohexyloxyhexadecanal is sourced from PubChem (CID 91403014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).