4-(3,6-dihydro-2H-pyran-5-ylmethyl)-2,5,5-trimethylmorpholine

C13H23NO2 — CID 86791704

IUPAC4-(3,6-dihydro-2H-pyran-5-ylmethyl)-2,5,5-trimethylmorpholine
SMILESCC1CN(CC2=CCCOC2)C(C)(C)CO1
InChIInChI=1S/C13H23NO2/c1-11-7-14(13(2,3)10-16-11)8-12-5-4-6-15-9-12/h5,11H,4,6-10H2,1-3H3
InChIKeyYQVHVIZVBBDOSO-UHFFFAOYSA-N
MW225.33 g/mol
LogP1.83
Rot. Bonds2

About 4-(3,6-dihydro-2H-pyran-5-ylmethyl)-2,5,5-trimethylmorpholine

4-(3,6-dihydro-2H-pyran-5-ylmethyl)-2,5,5-trimethylmorpholine (PubChem CID 86791704) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 4-(3,6-dihydro-2H-pyran-5-ylmethyl)-2,5,5-trimethylmorpholine.

Molecular Properties

Compound Name4-(3,6-dihydro-2H-pyran-5-ylmethyl)-2,5,5-trimethylmorpholine
PubChem CID86791704
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name4-(3,6-dihydro-2H-pyran-5-ylmethyl)-2,5,5-trimethylmorpholine
SMILESCC1CN(CC2=CCCOC2)C(C)(C)CO1
InChIInChI=1S/C13H23NO2/c1-11-7-14(13(2,3)10-16-11)8-12-5-4-6-15-9-12/h5,11H,4,6-10H2,1-3H3
InChIKeyYQVHVIZVBBDOSO-UHFFFAOYSA-N
XLogP1.83
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 4-(3,6-dihydro-2H-pyran-5-ylmethyl)-2,5,5-trimethylmorpholine?
The IUPAC name of 4-(3,6-dihydro-2H-pyran-5-ylmethyl)-2,5,5-trimethylmorpholine (CID 86791704) is 4-(3,6-dihydro-2H-pyran-5-ylmethyl)-2,5,5-trimethylmorpholine.
What is the SMILES notation for 4-(3,6-dihydro-2H-pyran-5-ylmethyl)-2,5,5-trimethylmorpholine?
The canonical SMILES for 4-(3,6-dihydro-2H-pyran-5-ylmethyl)-2,5,5-trimethylmorpholine is CC1CN(CC2=CCCOC2)C(C)(C)CO1.
What is the InChIKey of 4-(3,6-dihydro-2H-pyran-5-ylmethyl)-2,5,5-trimethylmorpholine?
The InChIKey is YQVHVIZVBBDOSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-11-7-14(13(2,3)10-16-11)8-12-5-4-6-15-9-12/h5,11H,4,6-10H2,1-3H3.
What are the key properties of 4-(3,6-dihydro-2H-pyran-5-ylmethyl)-2,5,5-trimethylmorpholine?
4-(3,6-dihydro-2H-pyran-5-ylmethyl)-2,5,5-trimethylmorpholine has a molecular weight of 225.33 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,6-dihydro-2H-pyran-5-ylmethyl)-2,5,5-trimethylmorpholine is sourced from PubChem (CID 86791704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).