4-[(4E,6Z)-4-methylocta-4,6-dien-3-yl]morpholine

C13H23NO — CID 135202844

IUPAC4-[(4E,6Z)-4-methylocta-4,6-dien-3-yl]morpholine
SMILESC/C=C\C=C(/C)C(CC)N1CCOCC1
InChIInChI=1S/C13H23NO/c1-4-6-7-12(3)13(5-2)14-8-10-15-11-9-14/h4,6-7,13H,5,8-11H2,1-3H3/b6-4-,12-7+
InChIKeyBYYIEPUHQXOMJE-YZUXJHQHSA-N
MW209.33 g/mol
LogP2.62
Rot. Bonds4

About 4-[(4E,6Z)-4-methylocta-4,6-dien-3-yl]morpholine

4-[(4E,6Z)-4-methylocta-4,6-dien-3-yl]morpholine (PubChem CID 135202844) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 4-[(4E,6Z)-4-methylocta-4,6-dien-3-yl]morpholine.

Molecular Properties

Compound Name4-[(4E,6Z)-4-methylocta-4,6-dien-3-yl]morpholine
PubChem CID135202844
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name4-[(4E,6Z)-4-methylocta-4,6-dien-3-yl]morpholine
SMILESC/C=C\C=C(/C)C(CC)N1CCOCC1
InChIInChI=1S/C13H23NO/c1-4-6-7-12(3)13(5-2)14-8-10-15-11-9-14/h4,6-7,13H,5,8-11H2,1-3H3/b6-4-,12-7+
InChIKeyBYYIEPUHQXOMJE-YZUXJHQHSA-N
XLogP2.62
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.62
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,6Z)-4-methylocta-4,6-dien-3-yl]morpholine?
The IUPAC name of 4-[(4E,6Z)-4-methylocta-4,6-dien-3-yl]morpholine (CID 135202844) is 4-[(4E,6Z)-4-methylocta-4,6-dien-3-yl]morpholine.
What is the SMILES notation for 4-[(4E,6Z)-4-methylocta-4,6-dien-3-yl]morpholine?
The canonical SMILES for 4-[(4E,6Z)-4-methylocta-4,6-dien-3-yl]morpholine is C/C=C\C=C(/C)C(CC)N1CCOCC1.
What is the InChIKey of 4-[(4E,6Z)-4-methylocta-4,6-dien-3-yl]morpholine?
The InChIKey is BYYIEPUHQXOMJE-YZUXJHQHSA-N. The full InChI is InChI=1S/C13H23NO/c1-4-6-7-12(3)13(5-2)14-8-10-15-11-9-14/h4,6-7,13H,5,8-11H2,1-3H3/b6-4-,12-7+.
What are the key properties of 4-[(4E,6Z)-4-methylocta-4,6-dien-3-yl]morpholine?
4-[(4E,6Z)-4-methylocta-4,6-dien-3-yl]morpholine has a molecular weight of 209.33 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4E,6Z)-4-methylocta-4,6-dien-3-yl]morpholine is sourced from PubChem (CID 135202844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).