1-(2,6-dimethylmorpholin-4-yl)dodecan-1-one;1-(2,6-dimethylmorpholin-4-yl)hexadecan-1-one;1-(2,6-dimethylmorpholin-4-yl)octadecan-1-one;1-(2,6-dimethylmorpholin-4-yl)tridecan-1-one;1-morpholin-4-yldodecan-1-one

C99H193N5O10 — CID 160847760

IUPAC1-(2,6-dimethylmorpholin-4-yl)dodecan-1-one;1-(2,6-dimethylmorpholin-4-yl)hexadecan-1-one;1-(2,6-dimethylmorpholin-4-yl)octadecan-1-one;1-(2,6-dimethylmorpholin-4-yl)tridecan-1-one;1-morpholin-4-yldodecan-1-one
SMILESCCCCCCCCCCCC(=O)N1CC(C)OC(C)C1.CCCCCCCCCCCC(=O)N1CCOCC1.CCCCCCCCCCCCC(=O)N1CC(C)OC(C)C1.CCCCCCCCCCCCCCCC(=O)N1CC(C)OC(C)C1.CCCCCCCCCCCCCCCCCC(=O)N1CC(C)OC(C)C1
InChIInChI=1S/C24H47NO2.C22H43NO2.C19H37NO2.C18H35NO2.C16H31NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24(26)25-20-22(2)27-23(3)21-25;1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(24)23-18-20(2)25-21(3)19-23;1-4-5-6-7-8-9-10-11-12-13-14-19(21)20-15-17(2)22-18(3)16-20;1-4-5-6-7-8-9-10-11-12-13-18(20)19-14-16(2)21-17(3)15-19;1-2-3-4-5-6-7-8-9-10-11-16(18)17-12-14-19-15-13-17/h22-23H,4-21H2,1-3H3;20-21H,4-19H2,1-3H3;17-18H,4-16H2,1-3H3;16-17H,4-15H2,1-3H3;2-15H2,1H3
InChIKeySIWCGIPFRZUKRA-UHFFFAOYSA-N
MW1613.66 g/mol
LogP26.23
Rot. Bonds61

About 1-(2,6-dimethylmorpholin-4-yl)dodecan-1-one;1-(2,6-dimethylmorpholin-4-yl)hexadecan-1-one;1-(2,6-dimethylmorpholin-4-yl)octadecan-1-one;1-(2,6-dimethylmorpholin-4-yl)tridecan-1-one;1-morpholin-4-yldodecan-1-one

1-(2,6-dimethylmorpholin-4-yl)dodecan-1-one;1-(2,6-dimethylmorpholin-4-yl)hexadecan-1-one;1-(2,6-dimethylmorpholin-4-yl)octadecan-1-one;1-(2,6-dimethylmorpholin-4-yl)tridecan-1-one;1-morpholin-4-yldodecan-1-one (PubChem CID 160847760) has the molecular formula C99H193N5O10 and a molecular weight of 1613.66 g/mol. Its IUPAC name is 1-(2,6-dimethylmorpholin-4-yl)dodecan-1-one;1-(2,6-dimethylmorpholin-4-yl)hexadecan-1-one;1-(2,6-dimethylmorpholin-4-yl)octadecan-1-one;1-(2,6-dimethylmorpholin-4-yl)tridecan-1-one;1-morpholin-4-yldodecan-1-one.

Molecular Properties

Compound Name1-(2,6-dimethylmorpholin-4-yl)dodecan-1-one;1-(2,6-dimethylmorpholin-4-yl)hexadecan-1-one;1-(2,6-dimethylmorpholin-4-yl)octadecan-1-one;1-(2,6-dimethylmorpholin-4-yl)tridecan-1-one;1-morpholin-4-yldodecan-1-one
PubChem CID160847760
Molecular FormulaC99H193N5O10
Molecular Weight1613.66 g/mol
Exact Mass1612.47
IUPAC Name1-(2,6-dimethylmorpholin-4-yl)dodecan-1-one;1-(2,6-dimethylmorpholin-4-yl)hexadecan-1-one;1-(2,6-dimethylmorpholin-4-yl)octadecan-1-one;1-(2,6-dimethylmorpholin-4-yl)tridecan-1-one;1-morpholin-4-yldodecan-1-one
SMILESCCCCCCCCCCCC(=O)N1CC(C)OC(C)C1.CCCCCCCCCCCC(=O)N1CCOCC1.CCCCCCCCCCCCC(=O)N1CC(C)OC(C)C1.CCCCCCCCCCCCCCCC(=O)N1CC(C)OC(C)C1.CCCCCCCCCCCCCCCCCC(=O)N1CC(C)OC(C)C1
InChIInChI=1S/C24H47NO2.C22H43NO2.C19H37NO2.C18H35NO2.C16H31NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24(26)25-20-22(2)27-23(3)21-25;1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(24)23-18-20(2)25-21(3)19-23;1-4-5-6-7-8-9-10-11-12-13-14-19(21)20-15-17(2)22-18(3)16-20;1-4-5-6-7-8-9-10-11-12-13-18(20)19-14-16(2)21-17(3)15-19;1-2-3-4-5-6-7-8-9-10-11-16(18)17-12-14-19-15-13-17/h22-23H,4-21H2,1-3H3;20-21H,4-19H2,1-3H3;17-18H,4-16H2,1-3H3;16-17H,4-15H2,1-3H3;2-15H2,1H3
InChIKeySIWCGIPFRZUKRA-UHFFFAOYSA-N
XLogP26.23
TPSA147.70 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds61
Heavy Atoms114
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001613.66
LogP ≤ 526.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 1-(2,6-dimethylmorpholin-4-yl)dodecan-1-one;1-(2,6-dimethylmorpholin-4-yl)hexadecan-1-one;1-(2,6-dimethylmorpholin-4-yl)octadecan-1-one;1-(2,6-dimethylmorpholin-4-yl)tridecan-1-one;1-morpholin-4-yldodecan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylmorpholin-4-yl)dodecan-1-one;1-(2,6-dimethylmorpholin-4-yl)hexadecan-1-one;1-(2,6-dimethylmorpholin-4-yl)octadecan-1-one;1-(2,6-dimethylmorpholin-4-yl)tridecan-1-one;1-morpholin-4-yldodecan-1-one?
The IUPAC name of 1-(2,6-dimethylmorpholin-4-yl)dodecan-1-one;1-(2,6-dimethylmorpholin-4-yl)hexadecan-1-one;1-(2,6-dimethylmorpholin-4-yl)octadecan-1-one;1-(2,6-dimethylmorpholin-4-yl)tridecan-1-one;1-morpholin-4-yldodecan-1-one (CID 160847760) is 1-(2,6-dimethylmorpholin-4-yl)dodecan-1-one;1-(2,6-dimethylmorpholin-4-yl)hexadecan-1-one;1-(2,6-dimethylmorpholin-4-yl)octadecan-1-one;1-(2,6-dimethylmorpholin-4-yl)tridecan-1-one;1-morpholin-4-yldodecan-1-one.
What is the SMILES notation for 1-(2,6-dimethylmorpholin-4-yl)dodecan-1-one;1-(2,6-dimethylmorpholin-4-yl)hexadecan-1-one;1-(2,6-dimethylmorpholin-4-yl)octadecan-1-one;1-(2,6-dimethylmorpholin-4-yl)tridecan-1-one;1-morpholin-4-yldodecan-1-one?
The canonical SMILES for 1-(2,6-dimethylmorpholin-4-yl)dodecan-1-one;1-(2,6-dimethylmorpholin-4-yl)hexadecan-1-one;1-(2,6-dimethylmorpholin-4-yl)octadecan-1-one;1-(2,6-dimethylmorpholin-4-yl)tridecan-1-one;1-morpholin-4-yldodecan-1-one is CCCCCCCCCCCC(=O)N1CC(C)OC(C)C1.CCCCCCCCCCCC(=O)N1CCOCC1.CCCCCCCCCCCCC(=O)N1CC(C)OC(C)C1.CCCCCCCCCCCCCCCC(=O)N1CC(C)OC(C)C1.CCCCCCCCCCCCCCCCCC(=O)N1CC(C)OC(C)C1.
What is the InChIKey of 1-(2,6-dimethylmorpholin-4-yl)dodecan-1-one;1-(2,6-dimethylmorpholin-4-yl)hexadecan-1-one;1-(2,6-dimethylmorpholin-4-yl)octadecan-1-one;1-(2,6-dimethylmorpholin-4-yl)tridecan-1-one;1-morpholin-4-yldodecan-1-one?
The InChIKey is SIWCGIPFRZUKRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H47NO2.C22H43NO2.C19H37NO2.C18H35NO2.C16H31NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24(26)25-20-22(2)27-23(3)21-25;1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(24)23-18-20(2)25-21(3)19-23;1-4-5-6-7-8-9-10-11-12-13-14-19(21)20-15-17(2)22-18(3)16-20;1-4-5-6-7-8-9-10-11-12-13-18(20)19-14-16(2)21-17(3)15-19;1-2-3-4-5-6-7-8-9-10-11-16(18)17-12-14-19-15-13-17/h22-23H,4-21H2,1-3H3;20-21H,4-19H2,1-3H3;17-18H,4-16H2,1-3H3;16-17H,4-15H2,1-3H3;2-15H2,1H3.
What are the key properties of 1-(2,6-dimethylmorpholin-4-yl)dodecan-1-one;1-(2,6-dimethylmorpholin-4-yl)hexadecan-1-one;1-(2,6-dimethylmorpholin-4-yl)octadecan-1-one;1-(2,6-dimethylmorpholin-4-yl)tridecan-1-one;1-morpholin-4-yldodecan-1-one?
1-(2,6-dimethylmorpholin-4-yl)dodecan-1-one;1-(2,6-dimethylmorpholin-4-yl)hexadecan-1-one;1-(2,6-dimethylmorpholin-4-yl)octadecan-1-one;1-(2,6-dimethylmorpholin-4-yl)tridecan-1-one;1-morpholin-4-yldodecan-1-one has a molecular weight of 1613.66 g/mol, XLogP of 26.23, 61 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylmorpholin-4-yl)dodecan-1-one;1-(2,6-dimethylmorpholin-4-yl)hexadecan-1-one;1-(2,6-dimethylmorpholin-4-yl)octadecan-1-one;1-(2,6-dimethylmorpholin-4-yl)tridecan-1-one;1-morpholin-4-yldodecan-1-one is sourced from PubChem (CID 160847760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).