4-(6-cyclohexylhexa-1,5-dienyl)morpholine

C16H27NO — CID 57184119

IUPAC4-(6-cyclohexylhexa-1,5-dienyl)morpholine
SMILESC(=CC1CCCCC1)CCC=CN1CCOCC1
InChIInChI=1S/C16H27NO/c1(4-8-16-9-5-3-6-10-16)2-7-11-17-12-14-18-15-13-17/h4,7-8,11,16H,1-3,5-6,9-10,12-15H2
InChIKeyZTFOHJQYBWVVAN-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.75
Rot. Bonds5

About 4-(6-cyclohexylhexa-1,5-dienyl)morpholine

4-(6-cyclohexylhexa-1,5-dienyl)morpholine (PubChem CID 57184119) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 4-(6-cyclohexylhexa-1,5-dienyl)morpholine.

Molecular Properties

Compound Name4-(6-cyclohexylhexa-1,5-dienyl)morpholine
PubChem CID57184119
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name4-(6-cyclohexylhexa-1,5-dienyl)morpholine
SMILESC(=CC1CCCCC1)CCC=CN1CCOCC1
InChIInChI=1S/C16H27NO/c1(4-8-16-9-5-3-6-10-16)2-7-11-17-12-14-18-15-13-17/h4,7-8,11,16H,1-3,5-6,9-10,12-15H2
InChIKeyZTFOHJQYBWVVAN-UHFFFAOYSA-N
XLogP3.75
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.75
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 4-(6-cyclohexylhexa-1,5-dienyl)morpholine?
The IUPAC name of 4-(6-cyclohexylhexa-1,5-dienyl)morpholine (CID 57184119) is 4-(6-cyclohexylhexa-1,5-dienyl)morpholine.
What is the SMILES notation for 4-(6-cyclohexylhexa-1,5-dienyl)morpholine?
The canonical SMILES for 4-(6-cyclohexylhexa-1,5-dienyl)morpholine is C(=CC1CCCCC1)CCC=CN1CCOCC1.
What is the InChIKey of 4-(6-cyclohexylhexa-1,5-dienyl)morpholine?
The InChIKey is ZTFOHJQYBWVVAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1(4-8-16-9-5-3-6-10-16)2-7-11-17-12-14-18-15-13-17/h4,7-8,11,16H,1-3,5-6,9-10,12-15H2.
What are the key properties of 4-(6-cyclohexylhexa-1,5-dienyl)morpholine?
4-(6-cyclohexylhexa-1,5-dienyl)morpholine has a molecular weight of 249.40 g/mol, XLogP of 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-cyclohexylhexa-1,5-dienyl)morpholine is sourced from PubChem (CID 57184119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).