(2E,4E,6E,8E)-3,7-dimethyl-1-morpholin-4-yl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-one

C24H35NO2 — CID 11646381

IUPAC(2E,4E,6E,8E)-3,7-dimethyl-1-morpholin-4-yl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-one
SMILESCC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)N2CCOCC2)C(C)(C)CCC1
InChIInChI=1S/C24H35NO2/c1-19(11-12-22-21(3)10-7-13-24(22,4)5)8-6-9-20(2)18-23(26)25-14-16-27-17-15-25/h6,8-9,11-12,18H,7,10,13-17H2,1-5H3/b9-6+,12-11+,19-8+,20-18+
InChIKeyXHPKRVYZMVFULC-SFZCRTJJSA-N
MW369.55 g/mol
LogP5.38
Rot. Bonds5

About (2E,4E,6E,8E)-3,7-dimethyl-1-morpholin-4-yl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-one

(2E,4E,6E,8E)-3,7-dimethyl-1-morpholin-4-yl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-one (PubChem CID 11646381) has the molecular formula C24H35NO2 and a molecular weight of 369.55 g/mol. Its IUPAC name is (2E,4E,6E,8E)-3,7-dimethyl-1-morpholin-4-yl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-one.

Molecular Properties

Compound Name(2E,4E,6E,8E)-3,7-dimethyl-1-morpholin-4-yl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-one
PubChem CID11646381
Molecular FormulaC24H35NO2
Molecular Weight369.55 g/mol
Exact Mass369.27
IUPAC Name(2E,4E,6E,8E)-3,7-dimethyl-1-morpholin-4-yl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-one
SMILESCC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)N2CCOCC2)C(C)(C)CCC1
InChIInChI=1S/C24H35NO2/c1-19(11-12-22-21(3)10-7-13-24(22,4)5)8-6-9-20(2)18-23(26)25-14-16-27-17-15-25/h6,8-9,11-12,18H,7,10,13-17H2,1-5H3/b9-6+,12-11+,19-8+,20-18+
InChIKeyXHPKRVYZMVFULC-SFZCRTJJSA-N
XLogP5.38
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.55
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,4E,6E,8E)-3,7-dimethyl-1-morpholin-4-yl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-one?
The IUPAC name of (2E,4E,6E,8E)-3,7-dimethyl-1-morpholin-4-yl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-one (CID 11646381) is (2E,4E,6E,8E)-3,7-dimethyl-1-morpholin-4-yl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-one.
What is the SMILES notation for (2E,4E,6E,8E)-3,7-dimethyl-1-morpholin-4-yl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-one?
The canonical SMILES for (2E,4E,6E,8E)-3,7-dimethyl-1-morpholin-4-yl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-one is CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)N2CCOCC2)C(C)(C)CCC1.
What is the InChIKey of (2E,4E,6E,8E)-3,7-dimethyl-1-morpholin-4-yl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-one?
The InChIKey is XHPKRVYZMVFULC-SFZCRTJJSA-N. The full InChI is InChI=1S/C24H35NO2/c1-19(11-12-22-21(3)10-7-13-24(22,4)5)8-6-9-20(2)18-23(26)25-14-16-27-17-15-25/h6,8-9,11-12,18H,7,10,13-17H2,1-5H3/b9-6+,12-11+,19-8+,20-18+.
What are the key properties of (2E,4E,6E,8E)-3,7-dimethyl-1-morpholin-4-yl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-one?
(2E,4E,6E,8E)-3,7-dimethyl-1-morpholin-4-yl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-one has a molecular weight of 369.55 g/mol, XLogP of 5.38, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,6E,8E)-3,7-dimethyl-1-morpholin-4-yl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-one is sourced from PubChem (CID 11646381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).