2,6,10,14-tetramethyl-1-morpholin-4-ylnonadeca-2,6,10,14-tetraene-1,18-dione

C27H43NO3 — CID 54286178

IUPAC2,6,10,14-tetramethyl-1-morpholin-4-ylnonadeca-2,6,10,14-tetraene-1,18-dione
SMILESCC(=O)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C(=O)N1CCOCC1
InChIInChI=1S/C27H43NO3/c1-22(11-7-13-24(3)15-9-17-26(5)29)10-6-12-23(2)14-8-16-25(4)27(30)28-18-20-31-21-19-28/h11-12,15-16H,6-10,13-14,17-21H2,1-5H3
InChIKeyRUGNKJFBMAGNCQ-UHFFFAOYSA-N
MW429.65 g/mol
LogP6.34
Rot. Bonds13

About 2,6,10,14-tetramethyl-1-morpholin-4-ylnonadeca-2,6,10,14-tetraene-1,18-dione

2,6,10,14-tetramethyl-1-morpholin-4-ylnonadeca-2,6,10,14-tetraene-1,18-dione (PubChem CID 54286178) has the molecular formula C27H43NO3 and a molecular weight of 429.65 g/mol. Its IUPAC name is 2,6,10,14-tetramethyl-1-morpholin-4-ylnonadeca-2,6,10,14-tetraene-1,18-dione.

Molecular Properties

Compound Name2,6,10,14-tetramethyl-1-morpholin-4-ylnonadeca-2,6,10,14-tetraene-1,18-dione
PubChem CID54286178
Molecular FormulaC27H43NO3
Molecular Weight429.65 g/mol
Exact Mass429.32
IUPAC Name2,6,10,14-tetramethyl-1-morpholin-4-ylnonadeca-2,6,10,14-tetraene-1,18-dione
SMILESCC(=O)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C(=O)N1CCOCC1
InChIInChI=1S/C27H43NO3/c1-22(11-7-13-24(3)15-9-17-26(5)29)10-6-12-23(2)14-8-16-25(4)27(30)28-18-20-31-21-19-28/h11-12,15-16H,6-10,13-14,17-21H2,1-5H3
InChIKeyRUGNKJFBMAGNCQ-UHFFFAOYSA-N
XLogP6.34
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.65
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,6,10,14-tetramethyl-1-morpholin-4-ylnonadeca-2,6,10,14-tetraene-1,18-dione?
The IUPAC name of 2,6,10,14-tetramethyl-1-morpholin-4-ylnonadeca-2,6,10,14-tetraene-1,18-dione (CID 54286178) is 2,6,10,14-tetramethyl-1-morpholin-4-ylnonadeca-2,6,10,14-tetraene-1,18-dione.
What is the SMILES notation for 2,6,10,14-tetramethyl-1-morpholin-4-ylnonadeca-2,6,10,14-tetraene-1,18-dione?
The canonical SMILES for 2,6,10,14-tetramethyl-1-morpholin-4-ylnonadeca-2,6,10,14-tetraene-1,18-dione is CC(=O)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C(=O)N1CCOCC1.
What is the InChIKey of 2,6,10,14-tetramethyl-1-morpholin-4-ylnonadeca-2,6,10,14-tetraene-1,18-dione?
The InChIKey is RUGNKJFBMAGNCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H43NO3/c1-22(11-7-13-24(3)15-9-17-26(5)29)10-6-12-23(2)14-8-16-25(4)27(30)28-18-20-31-21-19-28/h11-12,15-16H,6-10,13-14,17-21H2,1-5H3.
What are the key properties of 2,6,10,14-tetramethyl-1-morpholin-4-ylnonadeca-2,6,10,14-tetraene-1,18-dione?
2,6,10,14-tetramethyl-1-morpholin-4-ylnonadeca-2,6,10,14-tetraene-1,18-dione has a molecular weight of 429.65 g/mol, XLogP of 6.34, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,10,14-tetramethyl-1-morpholin-4-ylnonadeca-2,6,10,14-tetraene-1,18-dione is sourced from PubChem (CID 54286178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).