1-morpholin-4-ylhexan-2-yl acetate

C12H23NO3 — CID 22706849

IUPAC1-morpholin-4-ylhexan-2-yl acetate
SMILESCCCCC(CN1CCOCC1)OC(C)=O
InChIInChI=1S/C12H23NO3/c1-3-4-5-12(16-11(2)14)10-13-6-8-15-9-7-13/h12H,3-10H2,1-2H3
InChIKeyHNDYVKYKBFPLDU-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.44
Rot. Bonds6

About 1-morpholin-4-ylhexan-2-yl acetate

1-morpholin-4-ylhexan-2-yl acetate (PubChem CID 22706849) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 1-morpholin-4-ylhexan-2-yl acetate.

Molecular Properties

Compound Name1-morpholin-4-ylhexan-2-yl acetate
PubChem CID22706849
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name1-morpholin-4-ylhexan-2-yl acetate
SMILESCCCCC(CN1CCOCC1)OC(C)=O
InChIInChI=1S/C12H23NO3/c1-3-4-5-12(16-11(2)14)10-13-6-8-15-9-7-13/h12H,3-10H2,1-2H3
InChIKeyHNDYVKYKBFPLDU-UHFFFAOYSA-N
XLogP1.44
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4,4,6,6,7,7,8,8,9,9,10,10,11,11,11-pentadecafluoro-1-morpholin-4-ylundecan-2-yl) acetate
CID 58855508
2-hexadecanoyloxy-3-morpholin-4-ylpropane-1-sulfonic acid
CID 129040803
4-(2-bromohexyl)morpholine
CID 19907055
1-morpholin-4-ylhexan-2-amine
CID 60852253
[(5R)-1-chlorononan-5-yl] acetate
CID 129368430
3-acetyloxy-2-(morpholin-4-ylmethyl)butanoic acid
CID 66704647
1-iodohexan-2-yl acetate
CID 11184782
1-morpholin-4-ylheptan-2-ol
CID 15312312
ethyl (2S)-2-amino-3-morpholin-4-ylpropanoate
CID 70159679
(2R)-1-morpholin-4-ylnonan-2-ol
CID 15188058
[(2S)-2-hydroxy-3-morpholin-4-ylpropyl] acetate
CID 71177850
2-decoxy-3-morpholin-4-ylpropane-1-sulfonic acid
CID 129040794

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-ylhexan-2-yl acetate?
The IUPAC name of 1-morpholin-4-ylhexan-2-yl acetate (CID 22706849) is 1-morpholin-4-ylhexan-2-yl acetate.
What is the SMILES notation for 1-morpholin-4-ylhexan-2-yl acetate?
The canonical SMILES for 1-morpholin-4-ylhexan-2-yl acetate is CCCCC(CN1CCOCC1)OC(C)=O.
What is the InChIKey of 1-morpholin-4-ylhexan-2-yl acetate?
The InChIKey is HNDYVKYKBFPLDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-3-4-5-12(16-11(2)14)10-13-6-8-15-9-7-13/h12H,3-10H2,1-2H3.
What are the key properties of 1-morpholin-4-ylhexan-2-yl acetate?
1-morpholin-4-ylhexan-2-yl acetate has a molecular weight of 229.32 g/mol, XLogP of 1.44, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-ylhexan-2-yl acetate is sourced from PubChem (CID 22706849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).