(2S)-6-morpholin-4-ium-4-ylhex-4-yn-2-ol

C10H18NO2+ — CID 7272440

IUPAC(2S)-6-morpholin-4-ium-4-ylhex-4-yn-2-ol
SMILESC[C@H](O)CC#CC[NH+]1CCOCC1
InChIInChI=1S/C10H17NO2/c1-10(12)4-2-3-5-11-6-8-13-9-7-11/h10,12H,4-9H2,1H3/p+1/t10-/m0/s1
InChIKeyYAOKOEZIJZDOHS-JTQLQIEISA-O
MW184.26 g/mol
LogP-1.32
Rot. Bonds2

About (2S)-6-morpholin-4-ium-4-ylhex-4-yn-2-ol

(2S)-6-morpholin-4-ium-4-ylhex-4-yn-2-ol (PubChem CID 7272440) has the molecular formula C10H18NO2+ and a molecular weight of 184.26 g/mol. Its IUPAC name is (2S)-6-morpholin-4-ium-4-ylhex-4-yn-2-ol.

Molecular Properties

Compound Name(2S)-6-morpholin-4-ium-4-ylhex-4-yn-2-ol
PubChem CID7272440
Molecular FormulaC10H18NO2+
Molecular Weight184.26 g/mol
Exact Mass184.13
IUPAC Name(2S)-6-morpholin-4-ium-4-ylhex-4-yn-2-ol
SMILESC[C@H](O)CC#CC[NH+]1CCOCC1
InChIInChI=1S/C10H17NO2/c1-10(12)4-2-3-5-11-6-8-13-9-7-11/h10,12H,4-9H2,1H3/p+1/t10-/m0/s1
InChIKeyYAOKOEZIJZDOHS-JTQLQIEISA-O
XLogP-1.32
TPSA33.90 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 5-1.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(5R)-5-[(2-methylpropan-2-yl)oxy]hex-2-ynyl]morpholin-4-ium
CID 2054949
(2R)-6-morpholin-4-ylhex-4-yn-2-ol
CID 7272443
(2S)-hept-4-yn-2-ol
CID 7568791
(2R,9R)-deca-4,6-diyne-2,9-diol
CID 129384337
(4-morpholin-4-ium-4-yl-1-phenylbut-2-ynyl) acetate chloride
CID 21233695
(2S)-oct-4-yn-2-ol
CID 40565463
5-trimethylsilylpent-4-yn-2-ol
CID 11073669
4-ethylmorpholin-4-ium;1-propan-2-ylpyrrolidin-1-ium
CID 19792725
1,4-dioxane;propan-2-ol;hydrate
CID 70303390
2-morpholin-4-ium-4-ylethanol iodide
CID 89439326
[(2S)-3-azaniumyl-2-hydroxypropyl]-[(2R)-2-hydroxy-3-morpholin-4-ium-4-ylpropyl]-methylazanium
CID 2260103
(2S)-1-(2,6-dimethylphenoxy)-3-morpholin-4-ium-4-ylpropan-2-ol
CID 7542734

Frequently Asked Questions

What is the IUPAC name of (2S)-6-morpholin-4-ium-4-ylhex-4-yn-2-ol?
The IUPAC name of (2S)-6-morpholin-4-ium-4-ylhex-4-yn-2-ol (CID 7272440) is (2S)-6-morpholin-4-ium-4-ylhex-4-yn-2-ol.
What is the SMILES notation for (2S)-6-morpholin-4-ium-4-ylhex-4-yn-2-ol?
The canonical SMILES for (2S)-6-morpholin-4-ium-4-ylhex-4-yn-2-ol is C[C@H](O)CC#CC[NH+]1CCOCC1.
What is the InChIKey of (2S)-6-morpholin-4-ium-4-ylhex-4-yn-2-ol?
The InChIKey is YAOKOEZIJZDOHS-JTQLQIEISA-O. The full InChI is InChI=1S/C10H17NO2/c1-10(12)4-2-3-5-11-6-8-13-9-7-11/h10,12H,4-9H2,1H3/p+1/t10-/m0/s1.
What are the key properties of (2S)-6-morpholin-4-ium-4-ylhex-4-yn-2-ol?
(2S)-6-morpholin-4-ium-4-ylhex-4-yn-2-ol has a molecular weight of 184.26 g/mol, XLogP of -1.32, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-morpholin-4-ium-4-ylhex-4-yn-2-ol is sourced from PubChem (CID 7272440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).