1-morpholin-4-yldodecan-5-one

C16H31NO2 — CID 158125646

IUPAC1-morpholin-4-yldodecan-5-one
SMILESCCCCCCCC(=O)CCCCN1CCOCC1
InChIInChI=1S/C16H31NO2/c1-2-3-4-5-6-9-16(18)10-7-8-11-17-12-14-19-15-13-17/h2-15H2,1H3
InChIKeyLZFWUJUKYNKMAB-UHFFFAOYSA-N
MW269.43 g/mol
LogP3.42
Rot. Bonds11

About 1-morpholin-4-yldodecan-5-one

1-morpholin-4-yldodecan-5-one (PubChem CID 158125646) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is 1-morpholin-4-yldodecan-5-one.

Molecular Properties

Compound Name1-morpholin-4-yldodecan-5-one
PubChem CID158125646
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC Name1-morpholin-4-yldodecan-5-one
SMILESCCCCCCCC(=O)CCCCN1CCOCC1
InChIInChI=1S/C16H31NO2/c1-2-3-4-5-6-9-16(18)10-7-8-11-17-12-14-19-15-13-17/h2-15H2,1H3
InChIKeyLZFWUJUKYNKMAB-UHFFFAOYSA-N
XLogP3.42
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 53.42
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-yldodecan-5-one?
The IUPAC name of 1-morpholin-4-yldodecan-5-one (CID 158125646) is 1-morpholin-4-yldodecan-5-one.
What is the SMILES notation for 1-morpholin-4-yldodecan-5-one?
The canonical SMILES for 1-morpholin-4-yldodecan-5-one is CCCCCCCC(=O)CCCCN1CCOCC1.
What is the InChIKey of 1-morpholin-4-yldodecan-5-one?
The InChIKey is LZFWUJUKYNKMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-2-3-4-5-6-9-16(18)10-7-8-11-17-12-14-19-15-13-17/h2-15H2,1H3.
What are the key properties of 1-morpholin-4-yldodecan-5-one?
1-morpholin-4-yldodecan-5-one has a molecular weight of 269.43 g/mol, XLogP of 3.42, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yldodecan-5-one is sourced from PubChem (CID 158125646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).