1-methoxy-5-methyl-5-morpholin-4-ylheptan-4-one

C13H25NO3 — CID 114854047

IUPAC1-methoxy-5-methyl-5-morpholin-4-ylheptan-4-one
SMILESCCC(C)(C(=O)CCCOC)N1CCOCC1
InChIInChI=1S/C13H25NO3/c1-4-13(2,12(15)6-5-9-16-3)14-7-10-17-11-8-14/h4-11H2,1-3H3
InChIKeyDLHXPFSIXYXEEH-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.48
Rot. Bonds7

About 1-methoxy-5-methyl-5-morpholin-4-ylheptan-4-one

1-methoxy-5-methyl-5-morpholin-4-ylheptan-4-one (PubChem CID 114854047) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-methoxy-5-methyl-5-morpholin-4-ylheptan-4-one.

Molecular Properties

Compound Name1-methoxy-5-methyl-5-morpholin-4-ylheptan-4-one
PubChem CID114854047
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Name1-methoxy-5-methyl-5-morpholin-4-ylheptan-4-one
SMILESCCC(C)(C(=O)CCCOC)N1CCOCC1
InChIInChI=1S/C13H25NO3/c1-4-13(2,12(15)6-5-9-16-3)14-7-10-17-11-8-14/h4-11H2,1-3H3
InChIKeyDLHXPFSIXYXEEH-UHFFFAOYSA-N
XLogP1.48
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-3-morpholin-4-yldecan-4-one
CID 79065458
1-ethylsulfonyl-5-methyl-5-morpholin-4-ylheptan-4-one
CID 79065692
2-methyl-2-morpholin-4-ylbutanoic acid
CID 43803225
2,5-dimethyl-5-morpholin-4-ylheptan-4-one
CID 79065685
2-(azepan-1-yl)-6-methoxy-2-methylhexan-3-one
CID 114854025
3-methoxy-2-methyl-2-morpholin-4-ylpropanoic acid
CID 62534902
4-methyl-4-morpholin-4-yl-1-thiophen-2-ylhexan-3-one
CID 79065617
1-ethylsulfonyl-5-methyl-5-pyrrolidin-1-ylheptan-4-one
CID 79068853
5-ethyl-5-hydroxy-1-methoxyheptan-4-one
CID 103446928
4-methoxy-2,4-dimethyl-2-morpholin-4-ylpentanoic acid
CID 43803216
1-(2,5-dichlorophenyl)-3-methyl-3-morpholin-4-ylpentan-2-one
CID 79057317
7,7,7-trifluoro-2-methyl-2-morpholin-4-ylheptan-3-one
CID 113326846

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-5-methyl-5-morpholin-4-ylheptan-4-one?
The IUPAC name of 1-methoxy-5-methyl-5-morpholin-4-ylheptan-4-one (CID 114854047) is 1-methoxy-5-methyl-5-morpholin-4-ylheptan-4-one.
What is the SMILES notation for 1-methoxy-5-methyl-5-morpholin-4-ylheptan-4-one?
The canonical SMILES for 1-methoxy-5-methyl-5-morpholin-4-ylheptan-4-one is CCC(C)(C(=O)CCCOC)N1CCOCC1.
What is the InChIKey of 1-methoxy-5-methyl-5-morpholin-4-ylheptan-4-one?
The InChIKey is DLHXPFSIXYXEEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-4-13(2,12(15)6-5-9-16-3)14-7-10-17-11-8-14/h4-11H2,1-3H3.
What are the key properties of 1-methoxy-5-methyl-5-morpholin-4-ylheptan-4-one?
1-methoxy-5-methyl-5-morpholin-4-ylheptan-4-one has a molecular weight of 243.35 g/mol, XLogP of 1.48, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-5-methyl-5-morpholin-4-ylheptan-4-one is sourced from PubChem (CID 114854047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).