4-[(2E)-3,7-dimethylocta-2,6-dienyl]morpholine

C14H25NO — CID 11673016

IUPAC4-[(2E)-3,7-dimethylocta-2,6-dienyl]morpholine
SMILESCC(C)=CCC/C(C)=C/CN1CCOCC1
InChIInChI=1S/C14H25NO/c1-13(2)5-4-6-14(3)7-8-15-9-11-16-12-10-15/h5,7H,4,6,8-12H2,1-3H3/b14-7+
InChIKeyYUTWIQSOWDYOKV-VGOFMYFVSA-N
MW223.36 g/mol
LogP3.01
Rot. Bonds5

About 4-[(2E)-3,7-dimethylocta-2,6-dienyl]morpholine

4-[(2E)-3,7-dimethylocta-2,6-dienyl]morpholine (PubChem CID 11673016) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 4-[(2E)-3,7-dimethylocta-2,6-dienyl]morpholine.

Molecular Properties

Compound Name4-[(2E)-3,7-dimethylocta-2,6-dienyl]morpholine
PubChem CID11673016
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name4-[(2E)-3,7-dimethylocta-2,6-dienyl]morpholine
SMILESCC(C)=CCC/C(C)=C/CN1CCOCC1
InChIInChI=1S/C14H25NO/c1-13(2)5-4-6-14(3)7-8-15-9-11-16-12-10-15/h5,7H,4,6,8-12H2,1-3H3/b14-7+
InChIKeyYUTWIQSOWDYOKV-VGOFMYFVSA-N
XLogP3.01
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ST50979702
CID 5801574
Morpholine, 4-(3,7,11-trimethyl-2,6,10-dodecatrienyl)-
CID 6446852
1-Morpholyl-2,7-octadiene
CID 331750
N-(3-penten-2-yl)-morpholine
CID 3828336
4-[(2E)-2,5-dimethylhexa-2,5-dienyl]morpholine
CID 12485223
Morpholine, 4-(3-methyl-2-butenyl)-
CID 12585158
4-Pent-2-enylmorpholine
CID 68590211
2-Methyl-1-morpholino-1-pentene
CID 85679855
(e)-4-(2-Methyl-6-methyleneocta-2,7-dien-1-yl)morpholine
CID 137797148
(z)-4-(2-Methyl-6-methyleneocta-2,7-dien-1-yl)morpholine
CID 137797149
4-[(E)-5-fluoro-3-methylhept-4-en-3-yl]morpholine
CID 155178039
4-[(2-Fluoro-6-methylcyclohexa-1,5-dien-1-yl)methyl]morpholine
CID 167101631

Frequently Asked Questions

What is the IUPAC name of 4-[(2E)-3,7-dimethylocta-2,6-dienyl]morpholine?
The IUPAC name of 4-[(2E)-3,7-dimethylocta-2,6-dienyl]morpholine (CID 11673016) is 4-[(2E)-3,7-dimethylocta-2,6-dienyl]morpholine.
What is the SMILES notation for 4-[(2E)-3,7-dimethylocta-2,6-dienyl]morpholine?
The canonical SMILES for 4-[(2E)-3,7-dimethylocta-2,6-dienyl]morpholine is CC(C)=CCC/C(C)=C/CN1CCOCC1.
What is the InChIKey of 4-[(2E)-3,7-dimethylocta-2,6-dienyl]morpholine?
The InChIKey is YUTWIQSOWDYOKV-VGOFMYFVSA-N. The full InChI is InChI=1S/C14H25NO/c1-13(2)5-4-6-14(3)7-8-15-9-11-16-12-10-15/h5,7H,4,6,8-12H2,1-3H3/b14-7+.
What are the key properties of 4-[(2E)-3,7-dimethylocta-2,6-dienyl]morpholine?
4-[(2E)-3,7-dimethylocta-2,6-dienyl]morpholine has a molecular weight of 223.36 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2E)-3,7-dimethylocta-2,6-dienyl]morpholine is sourced from PubChem (CID 11673016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).