1-(2-methylbut-3-en-2-yloxy)-3-morpholin-4-ylpropan-2-ol;hydrochloride

C12H24ClNO3 — CID 71779612

IUPAC1-(2-methylbut-3-en-2-yloxy)-3-morpholin-4-ylpropan-2-ol;hydrochloride
SMILESC=CC(C)(C)OCC(O)CN1CCOCC1.Cl
InChIInChI=1S/C12H23NO3.ClH/c1-4-12(2,3)16-10-11(14)9-13-5-7-15-8-6-13;/h4,11,14H,1,5-10H2,2-3H3;1H
InChIKeyXAOXIFCETVGJEA-UHFFFAOYSA-N
MW265.78 g/mol
LogP1.08
Rot. Bonds6

About 1-(2-methylbut-3-en-2-yloxy)-3-morpholin-4-ylpropan-2-ol;hydrochloride

1-(2-methylbut-3-en-2-yloxy)-3-morpholin-4-ylpropan-2-ol;hydrochloride (PubChem CID 71779612) has the molecular formula C12H24ClNO3 and a molecular weight of 265.78 g/mol. Its IUPAC name is 1-(2-methylbut-3-en-2-yloxy)-3-morpholin-4-ylpropan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-(2-methylbut-3-en-2-yloxy)-3-morpholin-4-ylpropan-2-ol;hydrochloride
PubChem CID71779612
Molecular FormulaC12H24ClNO3
Molecular Weight265.78 g/mol
Exact Mass265.14
IUPAC Name1-(2-methylbut-3-en-2-yloxy)-3-morpholin-4-ylpropan-2-ol;hydrochloride
SMILESC=CC(C)(C)OCC(O)CN1CCOCC1.Cl
InChIInChI=1S/C12H23NO3.ClH/c1-4-12(2,3)16-10-11(14)9-13-5-7-15-8-6-13;/h4,11,14H,1,5-10H2,2-3H3;1H
InChIKeyXAOXIFCETVGJEA-UHFFFAOYSA-N
XLogP1.08
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.78
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylbut-3-en-2-yloxy)-3-morpholin-4-ylpropan-2-ol;hydrochloride?
The IUPAC name of 1-(2-methylbut-3-en-2-yloxy)-3-morpholin-4-ylpropan-2-ol;hydrochloride (CID 71779612) is 1-(2-methylbut-3-en-2-yloxy)-3-morpholin-4-ylpropan-2-ol;hydrochloride.
What is the SMILES notation for 1-(2-methylbut-3-en-2-yloxy)-3-morpholin-4-ylpropan-2-ol;hydrochloride?
The canonical SMILES for 1-(2-methylbut-3-en-2-yloxy)-3-morpholin-4-ylpropan-2-ol;hydrochloride is C=CC(C)(C)OCC(O)CN1CCOCC1.Cl.
What is the InChIKey of 1-(2-methylbut-3-en-2-yloxy)-3-morpholin-4-ylpropan-2-ol;hydrochloride?
The InChIKey is XAOXIFCETVGJEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3.ClH/c1-4-12(2,3)16-10-11(14)9-13-5-7-15-8-6-13;/h4,11,14H,1,5-10H2,2-3H3;1H.
What are the key properties of 1-(2-methylbut-3-en-2-yloxy)-3-morpholin-4-ylpropan-2-ol;hydrochloride?
1-(2-methylbut-3-en-2-yloxy)-3-morpholin-4-ylpropan-2-ol;hydrochloride has a molecular weight of 265.78 g/mol, XLogP of 1.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylbut-3-en-2-yloxy)-3-morpholin-4-ylpropan-2-ol;hydrochloride is sourced from PubChem (CID 71779612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).