(2E,6E,8E)-2,6-dimethyl-10-morpholin-4-yl-10-oxodeca-2,6,8-trienal

C16H23NO3 — CID 44561547

IUPAC(2E,6E,8E)-2,6-dimethyl-10-morpholin-4-yl-10-oxodeca-2,6,8-trienal
SMILESC/C(C=O)=C\CC/C(C)=C/C=C/C(=O)N1CCOCC1
InChIInChI=1S/C16H23NO3/c1-14(5-3-7-15(2)13-18)6-4-8-16(19)17-9-11-20-12-10-17/h4,6-8,13H,3,5,9-12H2,1-2H3/b8-4+,14-6+,15-7+
InChIKeyZLUQWNLTFRZSQI-AMYSYNOXSA-N
MW277.36 g/mol
LogP2.27
Rot. Bonds6

About (2E,6E,8E)-2,6-dimethyl-10-morpholin-4-yl-10-oxodeca-2,6,8-trienal

(2E,6E,8E)-2,6-dimethyl-10-morpholin-4-yl-10-oxodeca-2,6,8-trienal (PubChem CID 44561547) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is (2E,6E,8E)-2,6-dimethyl-10-morpholin-4-yl-10-oxodeca-2,6,8-trienal.

Molecular Properties

Compound Name(2E,6E,8E)-2,6-dimethyl-10-morpholin-4-yl-10-oxodeca-2,6,8-trienal
PubChem CID44561547
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name(2E,6E,8E)-2,6-dimethyl-10-morpholin-4-yl-10-oxodeca-2,6,8-trienal
SMILESC/C(C=O)=C\CC/C(C)=C/C=C/C(=O)N1CCOCC1
InChIInChI=1S/C16H23NO3/c1-14(5-3-7-15(2)13-18)6-4-8-16(19)17-9-11-20-12-10-17/h4,6-8,13H,3,5,9-12H2,1-2H3/b8-4+,14-6+,15-7+
InChIKeyZLUQWNLTFRZSQI-AMYSYNOXSA-N
XLogP2.27
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,6E,8E)-2,6-dimethyl-10-morpholin-4-yl-10-oxodeca-2,6,8-trienal?
The IUPAC name of (2E,6E,8E)-2,6-dimethyl-10-morpholin-4-yl-10-oxodeca-2,6,8-trienal (CID 44561547) is (2E,6E,8E)-2,6-dimethyl-10-morpholin-4-yl-10-oxodeca-2,6,8-trienal.
What is the SMILES notation for (2E,6E,8E)-2,6-dimethyl-10-morpholin-4-yl-10-oxodeca-2,6,8-trienal?
The canonical SMILES for (2E,6E,8E)-2,6-dimethyl-10-morpholin-4-yl-10-oxodeca-2,6,8-trienal is C/C(C=O)=C\CC/C(C)=C/C=C/C(=O)N1CCOCC1.
What is the InChIKey of (2E,6E,8E)-2,6-dimethyl-10-morpholin-4-yl-10-oxodeca-2,6,8-trienal?
The InChIKey is ZLUQWNLTFRZSQI-AMYSYNOXSA-N. The full InChI is InChI=1S/C16H23NO3/c1-14(5-3-7-15(2)13-18)6-4-8-16(19)17-9-11-20-12-10-17/h4,6-8,13H,3,5,9-12H2,1-2H3/b8-4+,14-6+,15-7+.
What are the key properties of (2E,6E,8E)-2,6-dimethyl-10-morpholin-4-yl-10-oxodeca-2,6,8-trienal?
(2E,6E,8E)-2,6-dimethyl-10-morpholin-4-yl-10-oxodeca-2,6,8-trienal has a molecular weight of 277.36 g/mol, XLogP of 2.27, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E,8E)-2,6-dimethyl-10-morpholin-4-yl-10-oxodeca-2,6,8-trienal is sourced from PubChem (CID 44561547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).