3-ethyl-6-morpholin-4-ylhex-4-yn-3-ol

C12H21NO2 — CID 703594

IUPAC3-ethyl-6-morpholin-4-ylhex-4-yn-3-ol
SMILESCCC(O)(C#CCN1CCOCC1)CC
InChIInChI=1S/C12H21NO2/c1-3-12(14,4-2)6-5-7-13-8-10-15-11-9-13/h14H,3-4,7-11H2,1-2H3
InChIKeyVVARVFOIWBNHHR-UHFFFAOYSA-N
MW211.30 g/mol
LogP0.87
Rot. Bonds3

About 3-ethyl-6-morpholin-4-ylhex-4-yn-3-ol

3-ethyl-6-morpholin-4-ylhex-4-yn-3-ol (PubChem CID 703594) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 3-ethyl-6-morpholin-4-ylhex-4-yn-3-ol.

Molecular Properties

Compound Name3-ethyl-6-morpholin-4-ylhex-4-yn-3-ol
PubChem CID703594
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name3-ethyl-6-morpholin-4-ylhex-4-yn-3-ol
SMILESCCC(O)(C#CCN1CCOCC1)CC
InChIInChI=1S/C12H21NO2/c1-3-12(14,4-2)6-5-7-13-8-10-15-11-9-13/h14H,3-4,7-11H2,1-2H3
InChIKeyVVARVFOIWBNHHR-UHFFFAOYSA-N
XLogP0.87
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Methyl-7-(morpholin-4-yl)hepta-3,5-diyn-2-ol
CID 665385
3-{[1,1-Diethyl-4-(4-morpholinyl)-2-butyn-1-yl]oxy}propanenitrile
CID 1624155
2-Methyl-6-(morpholin-4-yl)-3-(propan-2-yl)hex-4-yn-3-ol
CID 754477
3-Pentyn-2-ol, 2-methyl-5-(4-morpholinyl)-
CID 869482
4-(5-Tert-butoxy-2-hexyn-1-yl)morpholine
CID 2839997
3-Methyl-6-morpholin-4-ylhex-4-yn-3-ol
CID 3499738
1-(2-Ethoxyethyl)-4-ethynylpiperidin-4-ol
CID 15446041
4-[(5S)-5-[(2-methylpropan-2-yl)oxy]hex-2-ynyl]morpholine
CID 2054950
4-Hexyn-3-ol, 3-methyl-6-(2-piperidinoethoxy)-
CID 140080
3-Pentyn-2-ol, 2-methyl-5-(2-piperidinoethoxy)-
CID 140095
4-Hexyn-3-ol, 6-diisopropylamino-2-ethoxy-3-methyl-
CID 140097
2,2,3-Trimethyl-6-morpholin-4-ylhex-4-yn-3-ol
CID 2840213

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-morpholin-4-ylhex-4-yn-3-ol?
The IUPAC name of 3-ethyl-6-morpholin-4-ylhex-4-yn-3-ol (CID 703594) is 3-ethyl-6-morpholin-4-ylhex-4-yn-3-ol.
What is the SMILES notation for 3-ethyl-6-morpholin-4-ylhex-4-yn-3-ol?
The canonical SMILES for 3-ethyl-6-morpholin-4-ylhex-4-yn-3-ol is CCC(O)(C#CCN1CCOCC1)CC.
What is the InChIKey of 3-ethyl-6-morpholin-4-ylhex-4-yn-3-ol?
The InChIKey is VVARVFOIWBNHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-3-12(14,4-2)6-5-7-13-8-10-15-11-9-13/h14H,3-4,7-11H2,1-2H3.
What are the key properties of 3-ethyl-6-morpholin-4-ylhex-4-yn-3-ol?
3-ethyl-6-morpholin-4-ylhex-4-yn-3-ol has a molecular weight of 211.30 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-morpholin-4-ylhex-4-yn-3-ol is sourced from PubChem (CID 703594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).