4-(6-chlorohexyl)-2,5-dimethylmorpholine

C12H24ClNO — CID 62228010

IUPAC4-(6-chlorohexyl)-2,5-dimethylmorpholine
SMILESCC1CN(CCCCCCCl)C(C)CO1
InChIInChI=1S/C12H24ClNO/c1-11-10-15-12(2)9-14(11)8-6-4-3-5-7-13/h11-12H,3-10H2,1-2H3
InChIKeyKAYOPJYVVKSTIZ-UHFFFAOYSA-N
MW233.78 g/mol
LogP2.89
Rot. Bonds6

About 4-(6-chlorohexyl)-2,5-dimethylmorpholine

4-(6-chlorohexyl)-2,5-dimethylmorpholine (PubChem CID 62228010) has the molecular formula C12H24ClNO and a molecular weight of 233.78 g/mol. Its IUPAC name is 4-(6-chlorohexyl)-2,5-dimethylmorpholine.

Molecular Properties

Compound Name4-(6-chlorohexyl)-2,5-dimethylmorpholine
PubChem CID62228010
Molecular FormulaC12H24ClNO
Molecular Weight233.78 g/mol
Exact Mass233.15
IUPAC Name4-(6-chlorohexyl)-2,5-dimethylmorpholine
SMILESCC1CN(CCCCCCCl)C(C)CO1
InChIInChI=1S/C12H24ClNO/c1-11-10-15-12(2)9-14(11)8-6-4-3-5-7-13/h11-12H,3-10H2,1-2H3
InChIKeyKAYOPJYVVKSTIZ-UHFFFAOYSA-N
XLogP2.89
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.78
LogP ≤ 52.89
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-(6-chlorohexyl)-2,5-dimethylmorpholine?
The IUPAC name of 4-(6-chlorohexyl)-2,5-dimethylmorpholine (CID 62228010) is 4-(6-chlorohexyl)-2,5-dimethylmorpholine.
What is the SMILES notation for 4-(6-chlorohexyl)-2,5-dimethylmorpholine?
The canonical SMILES for 4-(6-chlorohexyl)-2,5-dimethylmorpholine is CC1CN(CCCCCCCl)C(C)CO1.
What is the InChIKey of 4-(6-chlorohexyl)-2,5-dimethylmorpholine?
The InChIKey is KAYOPJYVVKSTIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24ClNO/c1-11-10-15-12(2)9-14(11)8-6-4-3-5-7-13/h11-12H,3-10H2,1-2H3.
What are the key properties of 4-(6-chlorohexyl)-2,5-dimethylmorpholine?
4-(6-chlorohexyl)-2,5-dimethylmorpholine has a molecular weight of 233.78 g/mol, XLogP of 2.89, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chlorohexyl)-2,5-dimethylmorpholine is sourced from PubChem (CID 62228010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).