4-(6-chlorohexyl)morpholine

C10H20ClNO — CID 62227438

IUPAC4-(6-chlorohexyl)morpholine
SMILESClCCCCCCN1CCOCC1
InChIInChI=1S/C10H20ClNO/c11-5-3-1-2-4-6-12-7-9-13-10-8-12/h1-10H2
InChIKeyNSOXJTPZEITHKZ-UHFFFAOYSA-N
MW205.73 g/mol
LogP2.12
Rot. Bonds6

About 4-(6-chlorohexyl)morpholine

4-(6-chlorohexyl)morpholine (PubChem CID 62227438) has the molecular formula C10H20ClNO and a molecular weight of 205.73 g/mol. Its IUPAC name is 4-(6-chlorohexyl)morpholine.

Molecular Properties

Compound Name4-(6-chlorohexyl)morpholine
PubChem CID62227438
Molecular FormulaC10H20ClNO
Molecular Weight205.73 g/mol
Exact Mass205.12
IUPAC Name4-(6-chlorohexyl)morpholine
SMILESClCCCCCCN1CCOCC1
InChIInChI=1S/C10H20ClNO/c11-5-3-1-2-4-6-12-7-9-13-10-8-12/h1-10H2
InChIKeyNSOXJTPZEITHKZ-UHFFFAOYSA-N
XLogP2.12
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.73
LogP ≤ 52.12
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)morpholine?
The IUPAC name of 4-(6-chlorohexyl)morpholine (CID 62227438) is 4-(6-chlorohexyl)morpholine.
What is the SMILES notation for 4-(6-chlorohexyl)morpholine?
The canonical SMILES for 4-(6-chlorohexyl)morpholine is ClCCCCCCN1CCOCC1.
What is the InChIKey of 4-(6-chlorohexyl)morpholine?
The InChIKey is NSOXJTPZEITHKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClNO/c11-5-3-1-2-4-6-12-7-9-13-10-8-12/h1-10H2.
What are the key properties of 4-(6-chlorohexyl)morpholine?
4-(6-chlorohexyl)morpholine has a molecular weight of 205.73 g/mol, XLogP of 2.12, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chlorohexyl)morpholine is sourced from PubChem (CID 62227438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).