methyl 2-(4-hept-6-enylmorpholin-2-yl)acetate

C14H25NO3 — CID 107010067

IUPACmethyl 2-(4-hept-6-enylmorpholin-2-yl)acetate
SMILESC=CCCCCCN1CCOC(CC(=O)OC)C1
InChIInChI=1S/C14H25NO3/c1-3-4-5-6-7-8-15-9-10-18-13(12-15)11-14(16)17-2/h3,13H,1,4-12H2,2H3
InChIKeyMNGQJQHBSBAOMS-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.00
Rot. Bonds8

About methyl 2-(4-hept-6-enylmorpholin-2-yl)acetate

methyl 2-(4-hept-6-enylmorpholin-2-yl)acetate (PubChem CID 107010067) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is methyl 2-(4-hept-6-enylmorpholin-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(4-hept-6-enylmorpholin-2-yl)acetate
PubChem CID107010067
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Namemethyl 2-(4-hept-6-enylmorpholin-2-yl)acetate
SMILESC=CCCCCCN1CCOC(CC(=O)OC)C1
InChIInChI=1S/C14H25NO3/c1-3-4-5-6-7-8-15-9-10-18-13(12-15)11-14(16)17-2/h3,13H,1,4-12H2,2H3
InChIKeyMNGQJQHBSBAOMS-UHFFFAOYSA-N
XLogP2.00
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-hept-6-enylmorpholin-2-yl)acetate?
The IUPAC name of methyl 2-(4-hept-6-enylmorpholin-2-yl)acetate (CID 107010067) is methyl 2-(4-hept-6-enylmorpholin-2-yl)acetate.
What is the SMILES notation for methyl 2-(4-hept-6-enylmorpholin-2-yl)acetate?
The canonical SMILES for methyl 2-(4-hept-6-enylmorpholin-2-yl)acetate is C=CCCCCCN1CCOC(CC(=O)OC)C1.
What is the InChIKey of methyl 2-(4-hept-6-enylmorpholin-2-yl)acetate?
The InChIKey is MNGQJQHBSBAOMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-3-4-5-6-7-8-15-9-10-18-13(12-15)11-14(16)17-2/h3,13H,1,4-12H2,2H3.
What are the key properties of methyl 2-(4-hept-6-enylmorpholin-2-yl)acetate?
methyl 2-(4-hept-6-enylmorpholin-2-yl)acetate has a molecular weight of 255.36 g/mol, XLogP of 2.00, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-hept-6-enylmorpholin-2-yl)acetate is sourced from PubChem (CID 107010067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).