4-(4-hexyldecyl)morpholine

C20H41NO — CID 54115808

IUPAC4-(4-hexyldecyl)morpholine
SMILESCCCCCCC(CCCCCC)CCCN1CCOCC1
InChIInChI=1S/C20H41NO/c1-3-5-7-9-12-20(13-10-8-6-4-2)14-11-15-21-16-18-22-19-17-21/h20H,3-19H2,1-2H3
InChIKeyNKGUVFSMLYYKRZ-UHFFFAOYSA-N
MW311.55 g/mol
LogP5.66
Rot. Bonds14

About 4-(4-hexyldecyl)morpholine

4-(4-hexyldecyl)morpholine (PubChem CID 54115808) has the molecular formula C20H41NO and a molecular weight of 311.55 g/mol. Its IUPAC name is 4-(4-hexyldecyl)morpholine.

Molecular Properties

Compound Name4-(4-hexyldecyl)morpholine
PubChem CID54115808
Molecular FormulaC20H41NO
Molecular Weight311.55 g/mol
Exact Mass311.32
IUPAC Name4-(4-hexyldecyl)morpholine
SMILESCCCCCCC(CCCCCC)CCCN1CCOCC1
InChIInChI=1S/C20H41NO/c1-3-5-7-9-12-20(13-10-8-6-4-2)14-11-15-21-16-18-22-19-17-21/h20H,3-19H2,1-2H3
InChIKeyNKGUVFSMLYYKRZ-UHFFFAOYSA-N
XLogP5.66
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.55
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-hexyldecyl)morpholine?
The IUPAC name of 4-(4-hexyldecyl)morpholine (CID 54115808) is 4-(4-hexyldecyl)morpholine.
What is the SMILES notation for 4-(4-hexyldecyl)morpholine?
The canonical SMILES for 4-(4-hexyldecyl)morpholine is CCCCCCC(CCCCCC)CCCN1CCOCC1.
What is the InChIKey of 4-(4-hexyldecyl)morpholine?
The InChIKey is NKGUVFSMLYYKRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41NO/c1-3-5-7-9-12-20(13-10-8-6-4-2)14-11-15-21-16-18-22-19-17-21/h20H,3-19H2,1-2H3.
What are the key properties of 4-(4-hexyldecyl)morpholine?
4-(4-hexyldecyl)morpholine has a molecular weight of 311.55 g/mol, XLogP of 5.66, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hexyldecyl)morpholine is sourced from PubChem (CID 54115808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).