4-[(4E,6E)-2,6-dimethylocta-4,6-dien-3-yl]morpholine

C14H25NO — CID 12530642

IUPAC4-[(4E,6E)-2,6-dimethylocta-4,6-dien-3-yl]morpholine
SMILESC/C=C(C)/C=C/C(C(C)C)N1CCOCC1
InChIInChI=1S/C14H25NO/c1-5-13(4)6-7-14(12(2)3)15-8-10-16-11-9-15/h5-7,12,14H,8-11H2,1-4H3/b7-6+,13-5+
InChIKeyPKJSRDWZGGNFMJ-KCFSHNHPSA-N
MW223.36 g/mol
LogP2.87
Rot. Bonds4

About 4-[(4E,6E)-2,6-dimethylocta-4,6-dien-3-yl]morpholine

4-[(4E,6E)-2,6-dimethylocta-4,6-dien-3-yl]morpholine (PubChem CID 12530642) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 4-[(4E,6E)-2,6-dimethylocta-4,6-dien-3-yl]morpholine.

Molecular Properties

Compound Name4-[(4E,6E)-2,6-dimethylocta-4,6-dien-3-yl]morpholine
PubChem CID12530642
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name4-[(4E,6E)-2,6-dimethylocta-4,6-dien-3-yl]morpholine
SMILESC/C=C(C)/C=C/C(C(C)C)N1CCOCC1
InChIInChI=1S/C14H25NO/c1-5-13(4)6-7-14(12(2)3)15-8-10-16-11-9-15/h5-7,12,14H,8-11H2,1-4H3/b7-6+,13-5+
InChIKeyPKJSRDWZGGNFMJ-KCFSHNHPSA-N
XLogP2.87
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(4E,6E)-2,6-dimethylocta-4,6-dien-3-yl]morpholine?
The IUPAC name of 4-[(4E,6E)-2,6-dimethylocta-4,6-dien-3-yl]morpholine (CID 12530642) is 4-[(4E,6E)-2,6-dimethylocta-4,6-dien-3-yl]morpholine.
What is the SMILES notation for 4-[(4E,6E)-2,6-dimethylocta-4,6-dien-3-yl]morpholine?
The canonical SMILES for 4-[(4E,6E)-2,6-dimethylocta-4,6-dien-3-yl]morpholine is C/C=C(C)/C=C/C(C(C)C)N1CCOCC1.
What is the InChIKey of 4-[(4E,6E)-2,6-dimethylocta-4,6-dien-3-yl]morpholine?
The InChIKey is PKJSRDWZGGNFMJ-KCFSHNHPSA-N. The full InChI is InChI=1S/C14H25NO/c1-5-13(4)6-7-14(12(2)3)15-8-10-16-11-9-15/h5-7,12,14H,8-11H2,1-4H3/b7-6+,13-5+.
What are the key properties of 4-[(4E,6E)-2,6-dimethylocta-4,6-dien-3-yl]morpholine?
4-[(4E,6E)-2,6-dimethylocta-4,6-dien-3-yl]morpholine has a molecular weight of 223.36 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4E,6E)-2,6-dimethylocta-4,6-dien-3-yl]morpholine is sourced from PubChem (CID 12530642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).