1-but-3-en-2-yloxy-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol

C13H25NO3 — CID 91499993

IUPAC1-but-3-en-2-yloxy-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol
SMILESC=CC(C)OCC(O)CN1CC(C)OC(C)C1
InChIInChI=1S/C13H25NO3/c1-5-10(2)16-9-13(15)8-14-6-11(3)17-12(4)7-14/h5,10-13,15H,1,6-9H2,2-4H3
InChIKeyVMTOPODPKPJHFE-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.05
Rot. Bonds6

About 1-but-3-en-2-yloxy-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol

1-but-3-en-2-yloxy-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol (PubChem CID 91499993) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-but-3-en-2-yloxy-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol.

Molecular Properties

Compound Name1-but-3-en-2-yloxy-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol
PubChem CID91499993
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Name1-but-3-en-2-yloxy-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol
SMILESC=CC(C)OCC(O)CN1CC(C)OC(C)C1
InChIInChI=1S/C13H25NO3/c1-5-10(2)16-9-13(15)8-14-6-11(3)17-12(4)7-14/h5,10-13,15H,1,6-9H2,2-4H3
InChIKeyVMTOPODPKPJHFE-UHFFFAOYSA-N
XLogP1.05
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-Methylpiperazin-1-yl)-3-(prop-2-en-1-yloxy)propan-2-ol
CID 18593528
1-(2-Methylbut-3-en-2-yloxy)-3-morpholin-4-ylpropan-2-ol
CID 44117075
1-(4-Ethylpiperazin-1-yl)-3-((2-methylbut-3-en-2-yl)oxy)propan-2-ol dihydrochloride
CID 45283647
1-(4-(2-Hydroxyethyl)piperazin-1-yl)-3-((2-methylbut-3-en-2-yl)oxy)propan-2-ol dihydrochloride
CID 45283648
(S)-1-(1,1-dimethyl-2-propenyloxy)-3-[4-(2-hydroxyethyl)-1-piperazinyl]-2-propanol
CID 51623842
1-((2-Methylbut-3-en-2-yl)oxy)-3-morpholinopropan-2-ol hydrochloride
CID 71779612
1-(Allyloxy)-3-morpholinopropan-2-ol
CID 13312052
1-(Allyloxy)-3-(dimethylamino)propan-2-ol
CID 2793817
1-[Bis(2-hydroxyethyl)amino]-3-prop-2-enoxypropan-2-ol
CID 13725666
(2-Hydroxy-3-prop-2-enoxypropyl)-trimethylazanium chloride
CID 23227966
1-(Dibutylamino)-3-(prop-2-en-1-yloxy)propan-2-ol
CID 261304
1-(Allyloxy)-3-(dimethylamino)propan-2-ol hydrochloride
CID 3022344

Frequently Asked Questions

What is the IUPAC name of 1-but-3-en-2-yloxy-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol?
The IUPAC name of 1-but-3-en-2-yloxy-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol (CID 91499993) is 1-but-3-en-2-yloxy-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol.
What is the SMILES notation for 1-but-3-en-2-yloxy-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol?
The canonical SMILES for 1-but-3-en-2-yloxy-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol is C=CC(C)OCC(O)CN1CC(C)OC(C)C1.
What is the InChIKey of 1-but-3-en-2-yloxy-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol?
The InChIKey is VMTOPODPKPJHFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-5-10(2)16-9-13(15)8-14-6-11(3)17-12(4)7-14/h5,10-13,15H,1,6-9H2,2-4H3.
What are the key properties of 1-but-3-en-2-yloxy-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol?
1-but-3-en-2-yloxy-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol has a molecular weight of 243.35 g/mol, XLogP of 1.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-en-2-yloxy-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol is sourced from PubChem (CID 91499993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).