12-cyclohexyloxy-2-(dichloromethyl)dodecanal

C19H34Cl2O2 — CID 91801615

IUPAC12-cyclohexyloxy-2-(dichloromethyl)dodecanal
SMILESO=CC(CCCCCCCCCCOC1CCCCC1)C(Cl)Cl
InChIInChI=1S/C19H34Cl2O2/c20-19(21)17(16-22)12-8-5-3-1-2-4-6-11-15-23-18-13-9-7-10-14-18/h16-19H,1-15H2
InChIKeyJUTWTDFGDGMCFD-UHFFFAOYSA-N
MW365.39 g/mol
LogP6.47
Rot. Bonds14

About 12-cyclohexyloxy-2-(dichloromethyl)dodecanal

12-cyclohexyloxy-2-(dichloromethyl)dodecanal (PubChem CID 91801615) has the molecular formula C19H34Cl2O2 and a molecular weight of 365.39 g/mol. Its IUPAC name is 12-cyclohexyloxy-2-(dichloromethyl)dodecanal.

Molecular Properties

Compound Name12-cyclohexyloxy-2-(dichloromethyl)dodecanal
PubChem CID91801615
Molecular FormulaC19H34Cl2O2
Molecular Weight365.39 g/mol
Exact Mass364.19
IUPAC Name12-cyclohexyloxy-2-(dichloromethyl)dodecanal
SMILESO=CC(CCCCCCCCCCOC1CCCCC1)C(Cl)Cl
InChIInChI=1S/C19H34Cl2O2/c20-19(21)17(16-22)12-8-5-3-1-2-4-6-11-15-23-18-13-9-7-10-14-18/h16-19H,1-15H2
InChIKeyJUTWTDFGDGMCFD-UHFFFAOYSA-N
XLogP6.47
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.39
LogP ≤ 56.47
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 12-cyclohexyloxy-2-(dichloromethyl)dodecanal?
The IUPAC name of 12-cyclohexyloxy-2-(dichloromethyl)dodecanal (CID 91801615) is 12-cyclohexyloxy-2-(dichloromethyl)dodecanal.
What is the SMILES notation for 12-cyclohexyloxy-2-(dichloromethyl)dodecanal?
The canonical SMILES for 12-cyclohexyloxy-2-(dichloromethyl)dodecanal is O=CC(CCCCCCCCCCOC1CCCCC1)C(Cl)Cl.
What is the InChIKey of 12-cyclohexyloxy-2-(dichloromethyl)dodecanal?
The InChIKey is JUTWTDFGDGMCFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34Cl2O2/c20-19(21)17(16-22)12-8-5-3-1-2-4-6-11-15-23-18-13-9-7-10-14-18/h16-19H,1-15H2.
What are the key properties of 12-cyclohexyloxy-2-(dichloromethyl)dodecanal?
12-cyclohexyloxy-2-(dichloromethyl)dodecanal has a molecular weight of 365.39 g/mol, XLogP of 6.47, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12-cyclohexyloxy-2-(dichloromethyl)dodecanal is sourced from PubChem (CID 91801615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).