3,7,11,15-tetramethyl-1-morpholin-4-ylhexadeca-6,10,14-trien-1-one

C24H41NO2 — CID 53426225

IUPAC3,7,11,15-tetramethyl-1-morpholin-4-ylhexadeca-6,10,14-trien-1-one
SMILESCC(C)=CCCC(C)=CCCC(C)=CCCC(C)CC(=O)N1CCOCC1
InChIInChI=1S/C24H41NO2/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/h9,11,13,23H,6-8,10,12,14-19H2,1-5H3
InChIKeyFBHRBOWMNLCUFF-UHFFFAOYSA-N
MW375.60 g/mol
LogP6.07
Rot. Bonds11

About 3,7,11,15-tetramethyl-1-morpholin-4-ylhexadeca-6,10,14-trien-1-one

3,7,11,15-tetramethyl-1-morpholin-4-ylhexadeca-6,10,14-trien-1-one (PubChem CID 53426225) has the molecular formula C24H41NO2 and a molecular weight of 375.60 g/mol. Its IUPAC name is 3,7,11,15-tetramethyl-1-morpholin-4-ylhexadeca-6,10,14-trien-1-one.

Molecular Properties

Compound Name3,7,11,15-tetramethyl-1-morpholin-4-ylhexadeca-6,10,14-trien-1-one
PubChem CID53426225
Molecular FormulaC24H41NO2
Molecular Weight375.60 g/mol
Exact Mass375.31
IUPAC Name3,7,11,15-tetramethyl-1-morpholin-4-ylhexadeca-6,10,14-trien-1-one
SMILESCC(C)=CCCC(C)=CCCC(C)=CCCC(C)CC(=O)N1CCOCC1
InChIInChI=1S/C24H41NO2/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/h9,11,13,23H,6-8,10,12,14-19H2,1-5H3
InChIKeyFBHRBOWMNLCUFF-UHFFFAOYSA-N
XLogP6.07
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.60
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,7,11,15-tetramethyl-1-morpholin-4-ylhexadeca-6,10,14-trien-1-one?
The IUPAC name of 3,7,11,15-tetramethyl-1-morpholin-4-ylhexadeca-6,10,14-trien-1-one (CID 53426225) is 3,7,11,15-tetramethyl-1-morpholin-4-ylhexadeca-6,10,14-trien-1-one.
What is the SMILES notation for 3,7,11,15-tetramethyl-1-morpholin-4-ylhexadeca-6,10,14-trien-1-one?
The canonical SMILES for 3,7,11,15-tetramethyl-1-morpholin-4-ylhexadeca-6,10,14-trien-1-one is CC(C)=CCCC(C)=CCCC(C)=CCCC(C)CC(=O)N1CCOCC1.
What is the InChIKey of 3,7,11,15-tetramethyl-1-morpholin-4-ylhexadeca-6,10,14-trien-1-one?
The InChIKey is FBHRBOWMNLCUFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H41NO2/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/h9,11,13,23H,6-8,10,12,14-19H2,1-5H3.
What are the key properties of 3,7,11,15-tetramethyl-1-morpholin-4-ylhexadeca-6,10,14-trien-1-one?
3,7,11,15-tetramethyl-1-morpholin-4-ylhexadeca-6,10,14-trien-1-one has a molecular weight of 375.60 g/mol, XLogP of 6.07, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7,11,15-tetramethyl-1-morpholin-4-ylhexadeca-6,10,14-trien-1-one is sourced from PubChem (CID 53426225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).