2-methyl-2-morpholin-4-yl-6-(oxolan-2-yl)hexan-3-one

C15H27NO3 — CID 79045046

IUPAC2-methyl-2-morpholin-4-yl-6-(oxolan-2-yl)hexan-3-one
SMILESCC(C)(C(=O)CCCC1CCCO1)N1CCOCC1
InChIInChI=1S/C15H27NO3/c1-15(2,16-8-11-18-12-9-16)14(17)7-3-5-13-6-4-10-19-13/h13H,3-12H2,1-2H3
InChIKeyODEFNXDPDRWVFT-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.02
Rot. Bonds6

About 2-methyl-2-morpholin-4-yl-6-(oxolan-2-yl)hexan-3-one

2-methyl-2-morpholin-4-yl-6-(oxolan-2-yl)hexan-3-one (PubChem CID 79045046) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is 2-methyl-2-morpholin-4-yl-6-(oxolan-2-yl)hexan-3-one.

Molecular Properties

Compound Name2-methyl-2-morpholin-4-yl-6-(oxolan-2-yl)hexan-3-one
PubChem CID79045046
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name2-methyl-2-morpholin-4-yl-6-(oxolan-2-yl)hexan-3-one
SMILESCC(C)(C(=O)CCCC1CCCO1)N1CCOCC1
InChIInChI=1S/C15H27NO3/c1-15(2,16-8-11-18-12-9-16)14(17)7-3-5-13-6-4-10-19-13/h13H,3-12H2,1-2H3
InChIKeyODEFNXDPDRWVFT-UHFFFAOYSA-N
XLogP2.02
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-morpholin-4-yl-6-(oxolan-2-yl)hexan-3-one?
The IUPAC name of 2-methyl-2-morpholin-4-yl-6-(oxolan-2-yl)hexan-3-one (CID 79045046) is 2-methyl-2-morpholin-4-yl-6-(oxolan-2-yl)hexan-3-one.
What is the SMILES notation for 2-methyl-2-morpholin-4-yl-6-(oxolan-2-yl)hexan-3-one?
The canonical SMILES for 2-methyl-2-morpholin-4-yl-6-(oxolan-2-yl)hexan-3-one is CC(C)(C(=O)CCCC1CCCO1)N1CCOCC1.
What is the InChIKey of 2-methyl-2-morpholin-4-yl-6-(oxolan-2-yl)hexan-3-one?
The InChIKey is ODEFNXDPDRWVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-15(2,16-8-11-18-12-9-16)14(17)7-3-5-13-6-4-10-19-13/h13H,3-12H2,1-2H3.
What are the key properties of 2-methyl-2-morpholin-4-yl-6-(oxolan-2-yl)hexan-3-one?
2-methyl-2-morpholin-4-yl-6-(oxolan-2-yl)hexan-3-one has a molecular weight of 269.38 g/mol, XLogP of 2.02, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-morpholin-4-yl-6-(oxolan-2-yl)hexan-3-one is sourced from PubChem (CID 79045046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).