4-(11-chloroundecyl)-2,6-dimethylmorpholine

C17H34ClNO — CID 19738027

IUPAC4-(11-chloroundecyl)-2,6-dimethylmorpholine
SMILESCC1CN(CCCCCCCCCCCCl)CC(C)O1
InChIInChI=1S/C17H34ClNO/c1-16-14-19(15-17(2)20-16)13-11-9-7-5-3-4-6-8-10-12-18/h16-17H,3-15H2,1-2H3
InChIKeyPYZQAJQUDVIMJL-UHFFFAOYSA-N
MW303.92 g/mol
LogP4.85
Rot. Bonds11

About 4-(11-chloroundecyl)-2,6-dimethylmorpholine

4-(11-chloroundecyl)-2,6-dimethylmorpholine (PubChem CID 19738027) has the molecular formula C17H34ClNO and a molecular weight of 303.92 g/mol. Its IUPAC name is 4-(11-chloroundecyl)-2,6-dimethylmorpholine.

Molecular Properties

Compound Name4-(11-chloroundecyl)-2,6-dimethylmorpholine
PubChem CID19738027
Molecular FormulaC17H34ClNO
Molecular Weight303.92 g/mol
Exact Mass303.23
IUPAC Name4-(11-chloroundecyl)-2,6-dimethylmorpholine
SMILESCC1CN(CCCCCCCCCCCCl)CC(C)O1
InChIInChI=1S/C17H34ClNO/c1-16-14-19(15-17(2)20-16)13-11-9-7-5-3-4-6-8-10-12-18/h16-17H,3-15H2,1-2H3
InChIKeyPYZQAJQUDVIMJL-UHFFFAOYSA-N
XLogP4.85
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.92
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 4-(11-chloroundecyl)-2,6-dimethylmorpholine?
The IUPAC name of 4-(11-chloroundecyl)-2,6-dimethylmorpholine (CID 19738027) is 4-(11-chloroundecyl)-2,6-dimethylmorpholine.
What is the SMILES notation for 4-(11-chloroundecyl)-2,6-dimethylmorpholine?
The canonical SMILES for 4-(11-chloroundecyl)-2,6-dimethylmorpholine is CC1CN(CCCCCCCCCCCCl)CC(C)O1.
What is the InChIKey of 4-(11-chloroundecyl)-2,6-dimethylmorpholine?
The InChIKey is PYZQAJQUDVIMJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34ClNO/c1-16-14-19(15-17(2)20-16)13-11-9-7-5-3-4-6-8-10-12-18/h16-17H,3-15H2,1-2H3.
What are the key properties of 4-(11-chloroundecyl)-2,6-dimethylmorpholine?
4-(11-chloroundecyl)-2,6-dimethylmorpholine has a molecular weight of 303.92 g/mol, XLogP of 4.85, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(11-chloroundecyl)-2,6-dimethylmorpholine is sourced from PubChem (CID 19738027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).