2-chloro-18-cyclohexyloxyoctadecanal

C24H45ClO2 — CID 91596992

IUPAC2-chloro-18-cyclohexyloxyoctadecanal
SMILESO=CC(Cl)CCCCCCCCCCCCCCCCOC1CCCCC1
InChIInChI=1S/C24H45ClO2/c25-23(22-26)18-14-11-9-7-5-3-1-2-4-6-8-10-12-17-21-27-24-19-15-13-16-20-24/h22-24H,1-21H2
InChIKeyVRFIZALVACNRJJ-UHFFFAOYSA-N
MW401.08 g/mol
LogP7.99
Rot. Bonds19

About 2-chloro-18-cyclohexyloxyoctadecanal

2-chloro-18-cyclohexyloxyoctadecanal (PubChem CID 91596992) has the molecular formula C24H45ClO2 and a molecular weight of 401.08 g/mol. Its IUPAC name is 2-chloro-18-cyclohexyloxyoctadecanal.

Molecular Properties

Compound Name2-chloro-18-cyclohexyloxyoctadecanal
PubChem CID91596992
Molecular FormulaC24H45ClO2
Molecular Weight401.08 g/mol
Exact Mass400.31
IUPAC Name2-chloro-18-cyclohexyloxyoctadecanal
SMILESO=CC(Cl)CCCCCCCCCCCCCCCCOC1CCCCC1
InChIInChI=1S/C24H45ClO2/c25-23(22-26)18-14-11-9-7-5-3-1-2-4-6-8-10-12-17-21-27-24-19-15-13-16-20-24/h22-24H,1-21H2
InChIKeyVRFIZALVACNRJJ-UHFFFAOYSA-N
XLogP7.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.08
LogP ≤ 57.99
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-18-cyclohexyloxyoctadecanal?
The IUPAC name of 2-chloro-18-cyclohexyloxyoctadecanal (CID 91596992) is 2-chloro-18-cyclohexyloxyoctadecanal.
What is the SMILES notation for 2-chloro-18-cyclohexyloxyoctadecanal?
The canonical SMILES for 2-chloro-18-cyclohexyloxyoctadecanal is O=CC(Cl)CCCCCCCCCCCCCCCCOC1CCCCC1.
What is the InChIKey of 2-chloro-18-cyclohexyloxyoctadecanal?
The InChIKey is VRFIZALVACNRJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H45ClO2/c25-23(22-26)18-14-11-9-7-5-3-1-2-4-6-8-10-12-17-21-27-24-19-15-13-16-20-24/h22-24H,1-21H2.
What are the key properties of 2-chloro-18-cyclohexyloxyoctadecanal?
2-chloro-18-cyclohexyloxyoctadecanal has a molecular weight of 401.08 g/mol, XLogP of 7.99, 19 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-18-cyclohexyloxyoctadecanal is sourced from PubChem (CID 91596992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).