(E)-2,6-dimethyl-1-morpholin-4-yldodec-10-en-1-one

C18H33NO2 — CID 19855836

IUPAC(E)-2,6-dimethyl-1-morpholin-4-yldodec-10-en-1-one
SMILESC/C=C/CCCC(C)CCCC(C)C(=O)N1CCOCC1
InChIInChI=1S/C18H33NO2/c1-4-5-6-7-9-16(2)10-8-11-17(3)18(20)19-12-14-21-15-13-19/h4-5,16-17H,6-15H2,1-3H3/b5-4+
InChIKeyGWKIXWMZZUKEQB-SNAWJCMRSA-N
MW295.47 g/mol
LogP4.03
Rot. Bonds9

About (E)-2,6-dimethyl-1-morpholin-4-yldodec-10-en-1-one

(E)-2,6-dimethyl-1-morpholin-4-yldodec-10-en-1-one (PubChem CID 19855836) has the molecular formula C18H33NO2 and a molecular weight of 295.47 g/mol. Its IUPAC name is (E)-2,6-dimethyl-1-morpholin-4-yldodec-10-en-1-one.

Molecular Properties

Compound Name(E)-2,6-dimethyl-1-morpholin-4-yldodec-10-en-1-one
PubChem CID19855836
Molecular FormulaC18H33NO2
Molecular Weight295.47 g/mol
Exact Mass295.25
IUPAC Name(E)-2,6-dimethyl-1-morpholin-4-yldodec-10-en-1-one
SMILESC/C=C/CCCC(C)CCCC(C)C(=O)N1CCOCC1
InChIInChI=1S/C18H33NO2/c1-4-5-6-7-9-16(2)10-8-11-17(3)18(20)19-12-14-21-15-13-19/h4-5,16-17H,6-15H2,1-3H3/b5-4+
InChIKeyGWKIXWMZZUKEQB-SNAWJCMRSA-N
XLogP4.03
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 54.03
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-yldodec-10-en-1-one?
The IUPAC name of (E)-2,6-dimethyl-1-morpholin-4-yldodec-10-en-1-one (CID 19855836) is (E)-2,6-dimethyl-1-morpholin-4-yldodec-10-en-1-one.
What is the SMILES notation for (E)-2,6-dimethyl-1-morpholin-4-yldodec-10-en-1-one?
The canonical SMILES for (E)-2,6-dimethyl-1-morpholin-4-yldodec-10-en-1-one is C/C=C/CCCC(C)CCCC(C)C(=O)N1CCOCC1.
What is the InChIKey of (E)-2,6-dimethyl-1-morpholin-4-yldodec-10-en-1-one?
The InChIKey is GWKIXWMZZUKEQB-SNAWJCMRSA-N. The full InChI is InChI=1S/C18H33NO2/c1-4-5-6-7-9-16(2)10-8-11-17(3)18(20)19-12-14-21-15-13-19/h4-5,16-17H,6-15H2,1-3H3/b5-4+.
What are the key properties of (E)-2,6-dimethyl-1-morpholin-4-yldodec-10-en-1-one?
(E)-2,6-dimethyl-1-morpholin-4-yldodec-10-en-1-one has a molecular weight of 295.47 g/mol, XLogP of 4.03, 9 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-yldodec-10-en-1-one is sourced from PubChem (CID 19855836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).