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

C14H25NO — CID 12807203

IUPAC4-[(2E)-3,6-dimethylocta-2,7-dienyl]morpholine
SMILESC=CC(C)CC/C(C)=C/CN1CCOCC1
InChIInChI=1S/C14H25NO/c1-4-13(2)5-6-14(3)7-8-15-9-11-16-12-10-15/h4,7,13H,1,5-6,8-12H2,2-3H3/b14-7+
InChIKeyKKXAJKYCSFOBTF-VGOFMYFVSA-N
MW223.36 g/mol
LogP2.87
Rot. Bonds6

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

4-[(2E)-3,6-dimethylocta-2,7-dienyl]morpholine (PubChem CID 12807203) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 4-[(2E)-3,6-dimethylocta-2,7-dienyl]morpholine.

Molecular Properties

Compound Name4-[(2E)-3,6-dimethylocta-2,7-dienyl]morpholine
PubChem CID12807203
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name4-[(2E)-3,6-dimethylocta-2,7-dienyl]morpholine
SMILESC=CC(C)CC/C(C)=C/CN1CCOCC1
InChIInChI=1S/C14H25NO/c1-4-13(2)5-6-14(3)7-8-15-9-11-16-12-10-15/h4,7,13H,1,5-6,8-12H2,2-3H3/b14-7+
InChIKeyKKXAJKYCSFOBTF-VGOFMYFVSA-N
XLogP2.87
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
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': '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
4-(3-Cyclohexen-1-ylmethyl)morpholine
CID 2849466
1-Morpholyl-2,7-octadiene
CID 331750
4-[(2E)-2,5-dimethylhexa-2,5-dienyl]morpholine
CID 12485223
(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-[(2E)-3,7-dimethylocta-2,6-dienyl]morpholine
CID 11673016
4-[(2Z)-hept-2-en-1-yl]morpholine
CID 15266205
4-[(2e)-Hept-2-en-1-yl]morpholine
CID 87507666
N-(dimethyl-2,7-octadienyl)morpholine
CID 129763821
N-(dimethyl-2,7-octadienyl)-N-methyl-morpholinium iodide
CID 129763884

Frequently Asked Questions

What is the IUPAC name of 4-[(2E)-3,6-dimethylocta-2,7-dienyl]morpholine?
The IUPAC name of 4-[(2E)-3,6-dimethylocta-2,7-dienyl]morpholine (CID 12807203) is 4-[(2E)-3,6-dimethylocta-2,7-dienyl]morpholine.
What is the SMILES notation for 4-[(2E)-3,6-dimethylocta-2,7-dienyl]morpholine?
The canonical SMILES for 4-[(2E)-3,6-dimethylocta-2,7-dienyl]morpholine is C=CC(C)CC/C(C)=C/CN1CCOCC1.
What is the InChIKey of 4-[(2E)-3,6-dimethylocta-2,7-dienyl]morpholine?
The InChIKey is KKXAJKYCSFOBTF-VGOFMYFVSA-N. The full InChI is InChI=1S/C14H25NO/c1-4-13(2)5-6-14(3)7-8-15-9-11-16-12-10-15/h4,7,13H,1,5-6,8-12H2,2-3H3/b14-7+.
What are the key properties of 4-[(2E)-3,6-dimethylocta-2,7-dienyl]morpholine?
4-[(2E)-3,6-dimethylocta-2,7-dienyl]morpholine has a molecular weight of 223.36 g/mol, XLogP of 2.87, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2E)-3,6-dimethylocta-2,7-dienyl]morpholine is sourced from PubChem (CID 12807203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).