2-chloro-4-hexylmorpholine

C10H20ClNO — CID 174618229

IUPAC2-chloro-4-hexylmorpholine
SMILESCCCCCCN1CCOC(Cl)C1
InChIInChI=1S/C10H20ClNO/c1-2-3-4-5-6-12-7-8-13-10(11)9-12/h10H,2-9H2,1H3
InChIKeyYADRBLQZYYGVNE-UHFFFAOYSA-N
MW205.73 g/mol
LogP2.46
Rot. Bonds5

About 2-chloro-4-hexylmorpholine

2-chloro-4-hexylmorpholine (PubChem CID 174618229) has the molecular formula C10H20ClNO and a molecular weight of 205.73 g/mol. Its IUPAC name is 2-chloro-4-hexylmorpholine.

Molecular Properties

Compound Name2-chloro-4-hexylmorpholine
PubChem CID174618229
Molecular FormulaC10H20ClNO
Molecular Weight205.73 g/mol
Exact Mass205.12
IUPAC Name2-chloro-4-hexylmorpholine
SMILESCCCCCCN1CCOC(Cl)C1
InChIInChI=1S/C10H20ClNO/c1-2-3-4-5-6-12-7-8-13-10(11)9-12/h10H,2-9H2,1H3
InChIKeyYADRBLQZYYGVNE-UHFFFAOYSA-N
XLogP2.46
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.73
LogP ≤ 52.46
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 2-chloro-4-hexylmorpholine?
The IUPAC name of 2-chloro-4-hexylmorpholine (CID 174618229) is 2-chloro-4-hexylmorpholine.
What is the SMILES notation for 2-chloro-4-hexylmorpholine?
The canonical SMILES for 2-chloro-4-hexylmorpholine is CCCCCCN1CCOC(Cl)C1.
What is the InChIKey of 2-chloro-4-hexylmorpholine?
The InChIKey is YADRBLQZYYGVNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClNO/c1-2-3-4-5-6-12-7-8-13-10(11)9-12/h10H,2-9H2,1H3.
What are the key properties of 2-chloro-4-hexylmorpholine?
2-chloro-4-hexylmorpholine has a molecular weight of 205.73 g/mol, XLogP of 2.46, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-hexylmorpholine is sourced from PubChem (CID 174618229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).