4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]morpholine

C19H33NO — CID 6446852

IUPAC4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]morpholine
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CN1CCOCC1
InChIInChI=1S/C19H33NO/c1-17(2)7-5-8-18(3)9-6-10-19(4)11-12-20-13-15-21-16-14-20/h7,9,11H,5-6,8,10,12-16H2,1-4H3/b18-9+,19-11+
InChIKeySNDOFKPAIDYDBN-ZYCAGONGSA-N
MW291.48 g/mol
LogP4.74
Rot. Bonds8

About 4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]morpholine

4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]morpholine (PubChem CID 6446852) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is 4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]morpholine.

Molecular Properties

Compound Name4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]morpholine
PubChem CID6446852
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC Name4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]morpholine
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CN1CCOCC1
InChIInChI=1S/C19H33NO/c1-17(2)7-5-8-18(3)9-6-10-19(4)11-12-20-13-15-21-16-14-20/h7,9,11H,5-6,8,10,12-16H2,1-4H3/b18-9+,19-11+
InChIKeySNDOFKPAIDYDBN-ZYCAGONGSA-N
XLogP4.74
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 54.74
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 4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]morpholine?
The IUPAC name of 4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]morpholine (CID 6446852) is 4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]morpholine.
What is the SMILES notation for 4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]morpholine?
The canonical SMILES for 4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]morpholine is CC(C)=CCC/C(C)=C/CC/C(C)=C/CN1CCOCC1.
What is the InChIKey of 4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]morpholine?
The InChIKey is SNDOFKPAIDYDBN-ZYCAGONGSA-N. The full InChI is InChI=1S/C19H33NO/c1-17(2)7-5-8-18(3)9-6-10-19(4)11-12-20-13-15-21-16-14-20/h7,9,11H,5-6,8,10,12-16H2,1-4H3/b18-9+,19-11+.
What are the key properties of 4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]morpholine?
4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]morpholine has a molecular weight of 291.48 g/mol, XLogP of 4.74, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]morpholine is sourced from PubChem (CID 6446852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).