2,6-dimethyl-1-morpholin-4-ylundec-10-en-1-one

C17H31NO2 — CID 19855852

IUPAC2,6-dimethyl-1-morpholin-4-ylundec-10-en-1-one
SMILESC=CCCCC(C)CCCC(C)C(=O)N1CCOCC1
InChIInChI=1S/C17H31NO2/c1-4-5-6-8-15(2)9-7-10-16(3)17(19)18-11-13-20-14-12-18/h4,15-16H,1,5-14H2,2-3H3
InChIKeyWLZOIVUNOJUXJU-UHFFFAOYSA-N
MW281.44 g/mol
LogP3.64
Rot. Bonds9

About 2,6-dimethyl-1-morpholin-4-ylundec-10-en-1-one

2,6-dimethyl-1-morpholin-4-ylundec-10-en-1-one (PubChem CID 19855852) has the molecular formula C17H31NO2 and a molecular weight of 281.44 g/mol. Its IUPAC name is 2,6-dimethyl-1-morpholin-4-ylundec-10-en-1-one.

Molecular Properties

Compound Name2,6-dimethyl-1-morpholin-4-ylundec-10-en-1-one
PubChem CID19855852
Molecular FormulaC17H31NO2
Molecular Weight281.44 g/mol
Exact Mass281.24
IUPAC Name2,6-dimethyl-1-morpholin-4-ylundec-10-en-1-one
SMILESC=CCCCC(C)CCCC(C)C(=O)N1CCOCC1
InChIInChI=1S/C17H31NO2/c1-4-5-6-8-15(2)9-7-10-16(3)17(19)18-11-13-20-14-12-18/h4,15-16H,1,5-14H2,2-3H3
InChIKeyWLZOIVUNOJUXJU-UHFFFAOYSA-N
XLogP3.64
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-1-morpholin-4-ylundec-10-en-1-one?
The IUPAC name of 2,6-dimethyl-1-morpholin-4-ylundec-10-en-1-one (CID 19855852) is 2,6-dimethyl-1-morpholin-4-ylundec-10-en-1-one.
What is the SMILES notation for 2,6-dimethyl-1-morpholin-4-ylundec-10-en-1-one?
The canonical SMILES for 2,6-dimethyl-1-morpholin-4-ylundec-10-en-1-one is C=CCCCC(C)CCCC(C)C(=O)N1CCOCC1.
What is the InChIKey of 2,6-dimethyl-1-morpholin-4-ylundec-10-en-1-one?
The InChIKey is WLZOIVUNOJUXJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO2/c1-4-5-6-8-15(2)9-7-10-16(3)17(19)18-11-13-20-14-12-18/h4,15-16H,1,5-14H2,2-3H3.
What are the key properties of 2,6-dimethyl-1-morpholin-4-ylundec-10-en-1-one?
2,6-dimethyl-1-morpholin-4-ylundec-10-en-1-one has a molecular weight of 281.44 g/mol, XLogP of 3.64, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-1-morpholin-4-ylundec-10-en-1-one is sourced from PubChem (CID 19855852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).