(E)-2,6-dimethyl-1-morpholin-4-yltridec-11-en-1-one

C19H35NO2 — CID 19855854

IUPAC(E)-2,6-dimethyl-1-morpholin-4-yltridec-11-en-1-one
SMILESC/C=C/CCCCC(C)CCCC(C)C(=O)N1CCOCC1
InChIInChI=1S/C19H35NO2/c1-4-5-6-7-8-10-17(2)11-9-12-18(3)19(21)20-13-15-22-16-14-20/h4-5,17-18H,6-16H2,1-3H3/b5-4+
InChIKeyFTKJKQGLWIAXBK-SNAWJCMRSA-N
MW309.49 g/mol
LogP4.42
Rot. Bonds10

About (E)-2,6-dimethyl-1-morpholin-4-yltridec-11-en-1-one

(E)-2,6-dimethyl-1-morpholin-4-yltridec-11-en-1-one (PubChem CID 19855854) has the molecular formula C19H35NO2 and a molecular weight of 309.49 g/mol. Its IUPAC name is (E)-2,6-dimethyl-1-morpholin-4-yltridec-11-en-1-one.

Molecular Properties

Compound Name(E)-2,6-dimethyl-1-morpholin-4-yltridec-11-en-1-one
PubChem CID19855854
Molecular FormulaC19H35NO2
Molecular Weight309.49 g/mol
Exact Mass309.27
IUPAC Name(E)-2,6-dimethyl-1-morpholin-4-yltridec-11-en-1-one
SMILESC/C=C/CCCCC(C)CCCC(C)C(=O)N1CCOCC1
InChIInChI=1S/C19H35NO2/c1-4-5-6-7-8-10-17(2)11-9-12-18(3)19(21)20-13-15-22-16-14-20/h4-5,17-18H,6-16H2,1-3H3/b5-4+
InChIKeyFTKJKQGLWIAXBK-SNAWJCMRSA-N
XLogP4.42
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.49
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-2,6-dimethyl-1-morpholin-4-yltridec-11-en-1-one?
The IUPAC name of (E)-2,6-dimethyl-1-morpholin-4-yltridec-11-en-1-one (CID 19855854) is (E)-2,6-dimethyl-1-morpholin-4-yltridec-11-en-1-one.
What is the SMILES notation for (E)-2,6-dimethyl-1-morpholin-4-yltridec-11-en-1-one?
The canonical SMILES for (E)-2,6-dimethyl-1-morpholin-4-yltridec-11-en-1-one is C/C=C/CCCCC(C)CCCC(C)C(=O)N1CCOCC1.
What is the InChIKey of (E)-2,6-dimethyl-1-morpholin-4-yltridec-11-en-1-one?
The InChIKey is FTKJKQGLWIAXBK-SNAWJCMRSA-N. The full InChI is InChI=1S/C19H35NO2/c1-4-5-6-7-8-10-17(2)11-9-12-18(3)19(21)20-13-15-22-16-14-20/h4-5,17-18H,6-16H2,1-3H3/b5-4+.
What are the key properties of (E)-2,6-dimethyl-1-morpholin-4-yltridec-11-en-1-one?
(E)-2,6-dimethyl-1-morpholin-4-yltridec-11-en-1-one has a molecular weight of 309.49 g/mol, XLogP of 4.42, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,6-dimethyl-1-morpholin-4-yltridec-11-en-1-one is sourced from PubChem (CID 19855854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).