(2E,6E)-3,7,11-trimethyl-1-morpholin-4-yldodeca-2,6,10-trien-1-one

C19H31NO2 — CID 5275519

IUPAC(2E,6E)-3,7,11-trimethyl-1-morpholin-4-yldodeca-2,6,10-trien-1-one
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/C(=O)N1CCOCC1
InChIInChI=1S/C19H31NO2/c1-16(2)7-5-8-17(3)9-6-10-18(4)15-19(21)20-11-13-22-14-12-20/h7,9,15H,5-6,8,10-14H2,1-4H3/b17-9+,18-15+
InChIKeyIVAXYKPQCGJMHY-LMVCELQXSA-N
MW305.46 g/mol
LogP4.26
Rot. Bonds7

About (2E,6E)-3,7,11-trimethyl-1-morpholin-4-yldodeca-2,6,10-trien-1-one

(2E,6E)-3,7,11-trimethyl-1-morpholin-4-yldodeca-2,6,10-trien-1-one (PubChem CID 5275519) has the molecular formula C19H31NO2 and a molecular weight of 305.46 g/mol. Its IUPAC name is (2E,6E)-3,7,11-trimethyl-1-morpholin-4-yldodeca-2,6,10-trien-1-one.

Molecular Properties

Compound Name(2E,6E)-3,7,11-trimethyl-1-morpholin-4-yldodeca-2,6,10-trien-1-one
PubChem CID5275519
Molecular FormulaC19H31NO2
Molecular Weight305.46 g/mol
Exact Mass305.24
IUPAC Name(2E,6E)-3,7,11-trimethyl-1-morpholin-4-yldodeca-2,6,10-trien-1-one
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/C(=O)N1CCOCC1
InChIInChI=1S/C19H31NO2/c1-16(2)7-5-8-17(3)9-6-10-18(4)15-19(21)20-11-13-22-14-12-20/h7,9,15H,5-6,8,10-14H2,1-4H3/b17-9+,18-15+
InChIKeyIVAXYKPQCGJMHY-LMVCELQXSA-N
XLogP4.26
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.46
LogP ≤ 54.26
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)-3,7,11-trimethyl-1-morpholin-4-yldodeca-2,6,10-trien-1-one?
The IUPAC name of (2E,6E)-3,7,11-trimethyl-1-morpholin-4-yldodeca-2,6,10-trien-1-one (CID 5275519) is (2E,6E)-3,7,11-trimethyl-1-morpholin-4-yldodeca-2,6,10-trien-1-one.
What is the SMILES notation for (2E,6E)-3,7,11-trimethyl-1-morpholin-4-yldodeca-2,6,10-trien-1-one?
The canonical SMILES for (2E,6E)-3,7,11-trimethyl-1-morpholin-4-yldodeca-2,6,10-trien-1-one is CC(C)=CCC/C(C)=C/CC/C(C)=C/C(=O)N1CCOCC1.
What is the InChIKey of (2E,6E)-3,7,11-trimethyl-1-morpholin-4-yldodeca-2,6,10-trien-1-one?
The InChIKey is IVAXYKPQCGJMHY-LMVCELQXSA-N. The full InChI is InChI=1S/C19H31NO2/c1-16(2)7-5-8-17(3)9-6-10-18(4)15-19(21)20-11-13-22-14-12-20/h7,9,15H,5-6,8,10-14H2,1-4H3/b17-9+,18-15+.
What are the key properties of (2E,6E)-3,7,11-trimethyl-1-morpholin-4-yldodeca-2,6,10-trien-1-one?
(2E,6E)-3,7,11-trimethyl-1-morpholin-4-yldodeca-2,6,10-trien-1-one has a molecular weight of 305.46 g/mol, XLogP of 4.26, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E)-3,7,11-trimethyl-1-morpholin-4-yldodeca-2,6,10-trien-1-one is sourced from PubChem (CID 5275519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).