(2E,6E,10E)-3,7,11,15-tetramethyl-1-morpholin-4-ylhexadeca-2,6,10,14-tetraen-1-one

C24H39NO2 — CID 12922543

IUPAC(2E,6E,10E)-3,7,11,15-tetramethyl-1-morpholin-4-ylhexadeca-2,6,10,14-tetraen-1-one
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/C(=O)N1CCOCC1
InChIInChI=1S/C24H39NO2/c1-20(2)9-6-10-21(3)11-7-12-22(4)13-8-14-23(5)19-24(26)25-15-17-27-18-16-25/h9,11,13,19H,6-8,10,12,14-18H2,1-5H3/b21-11+,22-13+,23-19+
InChIKeyDPHRSMHYLGMYRP-CFXQGEQXSA-N
MW373.58 g/mol
LogP5.99
Rot. Bonds10

About (2E,6E,10E)-3,7,11,15-tetramethyl-1-morpholin-4-ylhexadeca-2,6,10,14-tetraen-1-one

(2E,6E,10E)-3,7,11,15-tetramethyl-1-morpholin-4-ylhexadeca-2,6,10,14-tetraen-1-one (PubChem CID 12922543) has the molecular formula C24H39NO2 and a molecular weight of 373.58 g/mol. Its IUPAC name is (2E,6E,10E)-3,7,11,15-tetramethyl-1-morpholin-4-ylhexadeca-2,6,10,14-tetraen-1-one.

Molecular Properties

Compound Name(2E,6E,10E)-3,7,11,15-tetramethyl-1-morpholin-4-ylhexadeca-2,6,10,14-tetraen-1-one
PubChem CID12922543
Molecular FormulaC24H39NO2
Molecular Weight373.58 g/mol
Exact Mass373.30
IUPAC Name(2E,6E,10E)-3,7,11,15-tetramethyl-1-morpholin-4-ylhexadeca-2,6,10,14-tetraen-1-one
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/C(=O)N1CCOCC1
InChIInChI=1S/C24H39NO2/c1-20(2)9-6-10-21(3)11-7-12-22(4)13-8-14-23(5)19-24(26)25-15-17-27-18-16-25/h9,11,13,19H,6-8,10,12,14-18H2,1-5H3/b21-11+,22-13+,23-19+
InChIKeyDPHRSMHYLGMYRP-CFXQGEQXSA-N
XLogP5.99
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.58
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (2E,6E,10E)-3,7,11,15-tetramethyl-1-morpholin-4-ylhexadeca-2,6,10,14-tetraen-1-one?
The IUPAC name of (2E,6E,10E)-3,7,11,15-tetramethyl-1-morpholin-4-ylhexadeca-2,6,10,14-tetraen-1-one (CID 12922543) is (2E,6E,10E)-3,7,11,15-tetramethyl-1-morpholin-4-ylhexadeca-2,6,10,14-tetraen-1-one.
What is the SMILES notation for (2E,6E,10E)-3,7,11,15-tetramethyl-1-morpholin-4-ylhexadeca-2,6,10,14-tetraen-1-one?
The canonical SMILES for (2E,6E,10E)-3,7,11,15-tetramethyl-1-morpholin-4-ylhexadeca-2,6,10,14-tetraen-1-one is CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/C(=O)N1CCOCC1.
What is the InChIKey of (2E,6E,10E)-3,7,11,15-tetramethyl-1-morpholin-4-ylhexadeca-2,6,10,14-tetraen-1-one?
The InChIKey is DPHRSMHYLGMYRP-CFXQGEQXSA-N. The full InChI is InChI=1S/C24H39NO2/c1-20(2)9-6-10-21(3)11-7-12-22(4)13-8-14-23(5)19-24(26)25-15-17-27-18-16-25/h9,11,13,19H,6-8,10,12,14-18H2,1-5H3/b21-11+,22-13+,23-19+.
What are the key properties of (2E,6E,10E)-3,7,11,15-tetramethyl-1-morpholin-4-ylhexadeca-2,6,10,14-tetraen-1-one?
(2E,6E,10E)-3,7,11,15-tetramethyl-1-morpholin-4-ylhexadeca-2,6,10,14-tetraen-1-one has a molecular weight of 373.58 g/mol, XLogP of 5.99, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E,10E)-3,7,11,15-tetramethyl-1-morpholin-4-ylhexadeca-2,6,10,14-tetraen-1-one is sourced from PubChem (CID 12922543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).