14-cyclohexyloxy-2-(dichloromethyl)tetradecanal

C21H38Cl2O2 — CID 91415169

IUPAC14-cyclohexyloxy-2-(dichloromethyl)tetradecanal
SMILESO=CC(CCCCCCCCCCCCOC1CCCCC1)C(Cl)Cl
InChIInChI=1S/C21H38Cl2O2/c22-21(23)19(18-24)14-10-7-5-3-1-2-4-6-8-13-17-25-20-15-11-9-12-16-20/h18-21H,1-17H2
InChIKeyWMHASHXYNRFTPB-UHFFFAOYSA-N
MW393.44 g/mol
LogP7.25
Rot. Bonds16

About 14-cyclohexyloxy-2-(dichloromethyl)tetradecanal

14-cyclohexyloxy-2-(dichloromethyl)tetradecanal (PubChem CID 91415169) has the molecular formula C21H38Cl2O2 and a molecular weight of 393.44 g/mol. Its IUPAC name is 14-cyclohexyloxy-2-(dichloromethyl)tetradecanal.

Molecular Properties

Compound Name14-cyclohexyloxy-2-(dichloromethyl)tetradecanal
PubChem CID91415169
Molecular FormulaC21H38Cl2O2
Molecular Weight393.44 g/mol
Exact Mass392.22
IUPAC Name14-cyclohexyloxy-2-(dichloromethyl)tetradecanal
SMILESO=CC(CCCCCCCCCCCCOC1CCCCC1)C(Cl)Cl
InChIInChI=1S/C21H38Cl2O2/c22-21(23)19(18-24)14-10-7-5-3-1-2-4-6-8-13-17-25-20-15-11-9-12-16-20/h18-21H,1-17H2
InChIKeyWMHASHXYNRFTPB-UHFFFAOYSA-N
XLogP7.25
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.44
LogP ≤ 57.25
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 14-cyclohexyloxy-2-(dichloromethyl)tetradecanal?
The IUPAC name of 14-cyclohexyloxy-2-(dichloromethyl)tetradecanal (CID 91415169) is 14-cyclohexyloxy-2-(dichloromethyl)tetradecanal.
What is the SMILES notation for 14-cyclohexyloxy-2-(dichloromethyl)tetradecanal?
The canonical SMILES for 14-cyclohexyloxy-2-(dichloromethyl)tetradecanal is O=CC(CCCCCCCCCCCCOC1CCCCC1)C(Cl)Cl.
What is the InChIKey of 14-cyclohexyloxy-2-(dichloromethyl)tetradecanal?
The InChIKey is WMHASHXYNRFTPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38Cl2O2/c22-21(23)19(18-24)14-10-7-5-3-1-2-4-6-8-13-17-25-20-15-11-9-12-16-20/h18-21H,1-17H2.
What are the key properties of 14-cyclohexyloxy-2-(dichloromethyl)tetradecanal?
14-cyclohexyloxy-2-(dichloromethyl)tetradecanal has a molecular weight of 393.44 g/mol, XLogP of 7.25, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 14-cyclohexyloxy-2-(dichloromethyl)tetradecanal is sourced from PubChem (CID 91415169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).