2,2,4,4-tetramethyl-1-morpholin-4-ylhexan-1-one

C14H27NO2 — CID 123340501

IUPAC2,2,4,4-tetramethyl-1-morpholin-4-ylhexan-1-one
SMILESCCC(C)(C)CC(C)(C)C(=O)N1CCOCC1
InChIInChI=1S/C14H27NO2/c1-6-13(2,3)11-14(4,5)12(16)15-7-9-17-10-8-15/h6-11H2,1-5H3
InChIKeyJXJSVVSOUWZSNP-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.70
Rot. Bonds4

About 2,2,4,4-tetramethyl-1-morpholin-4-ylhexan-1-one

2,2,4,4-tetramethyl-1-morpholin-4-ylhexan-1-one (PubChem CID 123340501) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 2,2,4,4-tetramethyl-1-morpholin-4-ylhexan-1-one.

Molecular Properties

Compound Name2,2,4,4-tetramethyl-1-morpholin-4-ylhexan-1-one
PubChem CID123340501
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name2,2,4,4-tetramethyl-1-morpholin-4-ylhexan-1-one
SMILESCCC(C)(C)CC(C)(C)C(=O)N1CCOCC1
InChIInChI=1S/C14H27NO2/c1-6-13(2,3)11-14(4,5)12(16)15-7-9-17-10-8-15/h6-11H2,1-5H3
InChIKeyJXJSVVSOUWZSNP-UHFFFAOYSA-N
XLogP2.70
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,4,4-tetramethyl-1-morpholin-4-ylhexan-1-one?
The IUPAC name of 2,2,4,4-tetramethyl-1-morpholin-4-ylhexan-1-one (CID 123340501) is 2,2,4,4-tetramethyl-1-morpholin-4-ylhexan-1-one.
What is the SMILES notation for 2,2,4,4-tetramethyl-1-morpholin-4-ylhexan-1-one?
The canonical SMILES for 2,2,4,4-tetramethyl-1-morpholin-4-ylhexan-1-one is CCC(C)(C)CC(C)(C)C(=O)N1CCOCC1.
What is the InChIKey of 2,2,4,4-tetramethyl-1-morpholin-4-ylhexan-1-one?
The InChIKey is JXJSVVSOUWZSNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-6-13(2,3)11-14(4,5)12(16)15-7-9-17-10-8-15/h6-11H2,1-5H3.
What are the key properties of 2,2,4,4-tetramethyl-1-morpholin-4-ylhexan-1-one?
2,2,4,4-tetramethyl-1-morpholin-4-ylhexan-1-one has a molecular weight of 241.37 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4-tetramethyl-1-morpholin-4-ylhexan-1-one is sourced from PubChem (CID 123340501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).