4-(2-ethylbut-2-enyl)-2-hexa-2,4-dien-3-ylmorpholine

C16H27NO — CID 123822583

IUPAC4-(2-ethylbut-2-enyl)-2-hexa-2,4-dien-3-ylmorpholine
SMILESCC=CC(=CC)C1CN(CC(=CC)CC)CCO1
InChIInChI=1S/C16H27NO/c1-5-9-15(8-4)16-13-17(10-11-18-16)12-14(6-2)7-3/h5-6,8-9,16H,7,10-13H2,1-4H3
InChIKeyGRRHHINFQMXHMW-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.57
Rot. Bonds5

About 4-(2-ethylbut-2-enyl)-2-hexa-2,4-dien-3-ylmorpholine

4-(2-ethylbut-2-enyl)-2-hexa-2,4-dien-3-ylmorpholine (PubChem CID 123822583) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 4-(2-ethylbut-2-enyl)-2-hexa-2,4-dien-3-ylmorpholine.

Molecular Properties

Compound Name4-(2-ethylbut-2-enyl)-2-hexa-2,4-dien-3-ylmorpholine
PubChem CID123822583
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name4-(2-ethylbut-2-enyl)-2-hexa-2,4-dien-3-ylmorpholine
SMILESCC=CC(=CC)C1CN(CC(=CC)CC)CCO1
InChIInChI=1S/C16H27NO/c1-5-9-15(8-4)16-13-17(10-11-18-16)12-14(6-2)7-3/h5-6,8-9,16H,7,10-13H2,1-4H3
InChIKeyGRRHHINFQMXHMW-UHFFFAOYSA-N
XLogP3.57
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 ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(2-ethylbut-2-enyl)-2-hexa-2,4-dien-3-ylmorpholine with MolForge

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Launch Full Analysis

Related Compounds

1-[4-ethenyl-5-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]-N,N-dimethylmethanamine
CID 142279528
2-cyclohexa-2,4-dien-1-yloxy-N,N-dimethylethanamine
CID 19836973
2-Ethyl-4-methyl-2,3,4a,8a-tetrahydro-1,4-benzoxazine
CID 58787092
4,6-Dimethyl-2,3,4a,8a-tetrahydro-1,4-benzoxazine
CID 59613732
4,7-Dimethyl-2,3,4a,8a-tetrahydro-1,4-benzoxazine
CID 60032173
4-Methyl-2-oct-2-en-2-ylmorpholine
CID 70610956
4-[(2E,4Z)-5-ethyl-2-methylhepta-2,4,6-trienyl]morpholine
CID 89261349
4-[2-[1-(2-Methoxycyclohexa-1,5-dien-1-yl)ethoxy]ethyl]morpholine
CID 89688793
4-Propan-2-yl-2,3,4a,8a-tetrahydro-1,4-benzoxazine
CID 89973809
2-Hepta-1,3,5-trien-2-yl-4-methylmorpholine
CID 90729864
4-Methyl-2-(3-methylbut-1-enyl)morpholine
CID 91270593
2-(3-Bicyclo[4.1.0]hepta-2,4-dienyl)-4-ethylmorpholine
CID 91399277

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylbut-2-enyl)-2-hexa-2,4-dien-3-ylmorpholine?
The IUPAC name of 4-(2-ethylbut-2-enyl)-2-hexa-2,4-dien-3-ylmorpholine (CID 123822583) is 4-(2-ethylbut-2-enyl)-2-hexa-2,4-dien-3-ylmorpholine.
What is the SMILES notation for 4-(2-ethylbut-2-enyl)-2-hexa-2,4-dien-3-ylmorpholine?
The canonical SMILES for 4-(2-ethylbut-2-enyl)-2-hexa-2,4-dien-3-ylmorpholine is CC=CC(=CC)C1CN(CC(=CC)CC)CCO1.
What is the InChIKey of 4-(2-ethylbut-2-enyl)-2-hexa-2,4-dien-3-ylmorpholine?
The InChIKey is GRRHHINFQMXHMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-5-9-15(8-4)16-13-17(10-11-18-16)12-14(6-2)7-3/h5-6,8-9,16H,7,10-13H2,1-4H3.
What are the key properties of 4-(2-ethylbut-2-enyl)-2-hexa-2,4-dien-3-ylmorpholine?
4-(2-ethylbut-2-enyl)-2-hexa-2,4-dien-3-ylmorpholine has a molecular weight of 249.40 g/mol, XLogP of 3.57, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylbut-2-enyl)-2-hexa-2,4-dien-3-ylmorpholine is sourced from PubChem (CID 123822583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).