3-[3-(5,5-dimethyloxolan-2-yl)-2-methylprop-2-enyl]morpholine

C14H25NO2 — CID 104889630

IUPAC3-[3-(5,5-dimethyloxolan-2-yl)-2-methylprop-2-enyl]morpholine
SMILESCC(=CC1CCC(C)(C)O1)CC1COCCN1
InChIInChI=1S/C14H25NO2/c1-11(8-12-10-16-7-6-15-12)9-13-4-5-14(2,3)17-13/h9,12-13,15H,4-8,10H2,1-3H3
InChIKeyGHYMSZSGVXGWKQ-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.27
Rot. Bonds3

About 3-[3-(5,5-dimethyloxolan-2-yl)-2-methylprop-2-enyl]morpholine

3-[3-(5,5-dimethyloxolan-2-yl)-2-methylprop-2-enyl]morpholine (PubChem CID 104889630) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 3-[3-(5,5-dimethyloxolan-2-yl)-2-methylprop-2-enyl]morpholine.

Molecular Properties

Compound Name3-[3-(5,5-dimethyloxolan-2-yl)-2-methylprop-2-enyl]morpholine
PubChem CID104889630
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name3-[3-(5,5-dimethyloxolan-2-yl)-2-methylprop-2-enyl]morpholine
SMILESCC(=CC1CCC(C)(C)O1)CC1COCCN1
InChIInChI=1S/C14H25NO2/c1-11(8-12-10-16-7-6-15-12)9-13-4-5-14(2,3)17-13/h9,12-13,15H,4-8,10H2,1-3H3
InChIKeyGHYMSZSGVXGWKQ-UHFFFAOYSA-N
XLogP2.27
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.27
H-Bond Donors ≤ 51
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 3-[3-(5,5-dimethyloxolan-2-yl)-2-methylprop-2-enyl]morpholine?
The IUPAC name of 3-[3-(5,5-dimethyloxolan-2-yl)-2-methylprop-2-enyl]morpholine (CID 104889630) is 3-[3-(5,5-dimethyloxolan-2-yl)-2-methylprop-2-enyl]morpholine.
What is the SMILES notation for 3-[3-(5,5-dimethyloxolan-2-yl)-2-methylprop-2-enyl]morpholine?
The canonical SMILES for 3-[3-(5,5-dimethyloxolan-2-yl)-2-methylprop-2-enyl]morpholine is CC(=CC1CCC(C)(C)O1)CC1COCCN1.
What is the InChIKey of 3-[3-(5,5-dimethyloxolan-2-yl)-2-methylprop-2-enyl]morpholine?
The InChIKey is GHYMSZSGVXGWKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-11(8-12-10-16-7-6-15-12)9-13-4-5-14(2,3)17-13/h9,12-13,15H,4-8,10H2,1-3H3.
What are the key properties of 3-[3-(5,5-dimethyloxolan-2-yl)-2-methylprop-2-enyl]morpholine?
3-[3-(5,5-dimethyloxolan-2-yl)-2-methylprop-2-enyl]morpholine has a molecular weight of 239.36 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(5,5-dimethyloxolan-2-yl)-2-methylprop-2-enyl]morpholine is sourced from PubChem (CID 104889630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).