1-morpholin-4-yltetradecan-5-one

C18H35NO2 — CID 158947505

IUPAC1-morpholin-4-yltetradecan-5-one
SMILESCCCCCCCCCC(=O)CCCCN1CCOCC1
InChIInChI=1S/C18H35NO2/c1-2-3-4-5-6-7-8-11-18(20)12-9-10-13-19-14-16-21-17-15-19/h2-17H2,1H3
InChIKeyQSCITBSJFKVLLN-UHFFFAOYSA-N
MW297.48 g/mol
LogP4.20
Rot. Bonds13

About 1-morpholin-4-yltetradecan-5-one

1-morpholin-4-yltetradecan-5-one (PubChem CID 158947505) has the molecular formula C18H35NO2 and a molecular weight of 297.48 g/mol. Its IUPAC name is 1-morpholin-4-yltetradecan-5-one.

Molecular Properties

Compound Name1-morpholin-4-yltetradecan-5-one
PubChem CID158947505
Molecular FormulaC18H35NO2
Molecular Weight297.48 g/mol
Exact Mass297.27
IUPAC Name1-morpholin-4-yltetradecan-5-one
SMILESCCCCCCCCCC(=O)CCCCN1CCOCC1
InChIInChI=1S/C18H35NO2/c1-2-3-4-5-6-7-8-11-18(20)12-9-10-13-19-14-16-21-17-15-19/h2-17H2,1H3
InChIKeyQSCITBSJFKVLLN-UHFFFAOYSA-N
XLogP4.20
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.48
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 1-morpholin-4-yltetradecan-5-one?
The IUPAC name of 1-morpholin-4-yltetradecan-5-one (CID 158947505) is 1-morpholin-4-yltetradecan-5-one.
What is the SMILES notation for 1-morpholin-4-yltetradecan-5-one?
The canonical SMILES for 1-morpholin-4-yltetradecan-5-one is CCCCCCCCCC(=O)CCCCN1CCOCC1.
What is the InChIKey of 1-morpholin-4-yltetradecan-5-one?
The InChIKey is QSCITBSJFKVLLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO2/c1-2-3-4-5-6-7-8-11-18(20)12-9-10-13-19-14-16-21-17-15-19/h2-17H2,1H3.
What are the key properties of 1-morpholin-4-yltetradecan-5-one?
1-morpholin-4-yltetradecan-5-one has a molecular weight of 297.48 g/mol, XLogP of 4.20, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yltetradecan-5-one is sourced from PubChem (CID 158947505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).