4-[4-(ethoxymethyl)hept-6-enyl]morpholine

C14H27NO2 — CID 123867481

IUPAC4-[4-(ethoxymethyl)hept-6-enyl]morpholine
SMILESC=CCC(CCCN1CCOCC1)COCC
InChIInChI=1S/C14H27NO2/c1-3-6-14(13-16-4-2)7-5-8-15-9-11-17-12-10-15/h3,14H,1,4-13H2,2H3
InChIKeyYKQMHOAOZLPMQW-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.33
Rot. Bonds9

About 4-[4-(ethoxymethyl)hept-6-enyl]morpholine

4-[4-(ethoxymethyl)hept-6-enyl]morpholine (PubChem CID 123867481) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 4-[4-(ethoxymethyl)hept-6-enyl]morpholine.

Molecular Properties

Compound Name4-[4-(ethoxymethyl)hept-6-enyl]morpholine
PubChem CID123867481
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name4-[4-(ethoxymethyl)hept-6-enyl]morpholine
SMILESC=CCC(CCCN1CCOCC1)COCC
InChIInChI=1S/C14H27NO2/c1-3-6-14(13-16-4-2)7-5-8-15-9-11-17-12-10-15/h3,14H,1,4-13H2,2H3
InChIKeyYKQMHOAOZLPMQW-UHFFFAOYSA-N
XLogP2.33
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.33
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-[4-(ethoxymethyl)hept-6-enyl]morpholine?
The IUPAC name of 4-[4-(ethoxymethyl)hept-6-enyl]morpholine (CID 123867481) is 4-[4-(ethoxymethyl)hept-6-enyl]morpholine.
What is the SMILES notation for 4-[4-(ethoxymethyl)hept-6-enyl]morpholine?
The canonical SMILES for 4-[4-(ethoxymethyl)hept-6-enyl]morpholine is C=CCC(CCCN1CCOCC1)COCC.
What is the InChIKey of 4-[4-(ethoxymethyl)hept-6-enyl]morpholine?
The InChIKey is YKQMHOAOZLPMQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-3-6-14(13-16-4-2)7-5-8-15-9-11-17-12-10-15/h3,14H,1,4-13H2,2H3.
What are the key properties of 4-[4-(ethoxymethyl)hept-6-enyl]morpholine?
4-[4-(ethoxymethyl)hept-6-enyl]morpholine has a molecular weight of 241.37 g/mol, XLogP of 2.33, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(ethoxymethyl)hept-6-enyl]morpholine is sourced from PubChem (CID 123867481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).