2-[(3Z,5E)-6,7-dimethylocta-1,3,5-trien-2-yl]oxy-1-morpholin-4-ylethanol

C16H27NO3 — CID 134297787

IUPAC2-[(3Z,5E)-6,7-dimethylocta-1,3,5-trien-2-yl]oxy-1-morpholin-4-ylethanol
SMILESC=C(/C=C\C=C(/C)C(C)C)OCC(O)N1CCOCC1
InChIInChI=1S/C16H27NO3/c1-13(2)14(3)6-5-7-15(4)20-12-16(18)17-8-10-19-11-9-17/h5-7,13,16,18H,4,8-12H2,1-3H3/b7-5-,14-6+
InChIKeyYLNNONWKFRPNNM-CYMBIFCZSA-N
MW281.40 g/mol
LogP2.33
Rot. Bonds7

About 2-[(3Z,5E)-6,7-dimethylocta-1,3,5-trien-2-yl]oxy-1-morpholin-4-ylethanol

2-[(3Z,5E)-6,7-dimethylocta-1,3,5-trien-2-yl]oxy-1-morpholin-4-ylethanol (PubChem CID 134297787) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-[(3Z,5E)-6,7-dimethylocta-1,3,5-trien-2-yl]oxy-1-morpholin-4-ylethanol.

Molecular Properties

Compound Name2-[(3Z,5E)-6,7-dimethylocta-1,3,5-trien-2-yl]oxy-1-morpholin-4-ylethanol
PubChem CID134297787
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name2-[(3Z,5E)-6,7-dimethylocta-1,3,5-trien-2-yl]oxy-1-morpholin-4-ylethanol
SMILESC=C(/C=C\C=C(/C)C(C)C)OCC(O)N1CCOCC1
InChIInChI=1S/C16H27NO3/c1-13(2)14(3)6-5-7-15(4)20-12-16(18)17-8-10-19-11-9-17/h5-7,13,16,18H,4,8-12H2,1-3H3/b7-5-,14-6+
InChIKeyYLNNONWKFRPNNM-CYMBIFCZSA-N
XLogP2.33
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(3Z,5E)-6,7-dimethylocta-1,3,5-trien-2-yl]oxy-1-morpholin-4-ylethanol?
The IUPAC name of 2-[(3Z,5E)-6,7-dimethylocta-1,3,5-trien-2-yl]oxy-1-morpholin-4-ylethanol (CID 134297787) is 2-[(3Z,5E)-6,7-dimethylocta-1,3,5-trien-2-yl]oxy-1-morpholin-4-ylethanol.
What is the SMILES notation for 2-[(3Z,5E)-6,7-dimethylocta-1,3,5-trien-2-yl]oxy-1-morpholin-4-ylethanol?
The canonical SMILES for 2-[(3Z,5E)-6,7-dimethylocta-1,3,5-trien-2-yl]oxy-1-morpholin-4-ylethanol is C=C(/C=C\C=C(/C)C(C)C)OCC(O)N1CCOCC1.
What is the InChIKey of 2-[(3Z,5E)-6,7-dimethylocta-1,3,5-trien-2-yl]oxy-1-morpholin-4-ylethanol?
The InChIKey is YLNNONWKFRPNNM-CYMBIFCZSA-N. The full InChI is InChI=1S/C16H27NO3/c1-13(2)14(3)6-5-7-15(4)20-12-16(18)17-8-10-19-11-9-17/h5-7,13,16,18H,4,8-12H2,1-3H3/b7-5-,14-6+.
What are the key properties of 2-[(3Z,5E)-6,7-dimethylocta-1,3,5-trien-2-yl]oxy-1-morpholin-4-ylethanol?
2-[(3Z,5E)-6,7-dimethylocta-1,3,5-trien-2-yl]oxy-1-morpholin-4-ylethanol has a molecular weight of 281.40 g/mol, XLogP of 2.33, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3Z,5E)-6,7-dimethylocta-1,3,5-trien-2-yl]oxy-1-morpholin-4-ylethanol is sourced from PubChem (CID 134297787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).