5-(diethylamino)pentyl hexa-2,4-dienoate

C15H27NO2 — CID 54508576

IUPAC5-(diethylamino)pentyl hexa-2,4-dienoate
SMILESCC=CC=CC(=O)OCCCCCN(CC)CC
InChIInChI=1S/C15H27NO2/c1-4-7-9-12-15(17)18-14-11-8-10-13-16(5-2)6-3/h4,7,9,12H,5-6,8,10-11,13-14H2,1-3H3
InChIKeyYHMJHOBWWRGBBB-UHFFFAOYSA-N
MW253.39 g/mol
LogP3.17
Rot. Bonds10

About 5-(diethylamino)pentyl hexa-2,4-dienoate

5-(diethylamino)pentyl hexa-2,4-dienoate (PubChem CID 54508576) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 5-(diethylamino)pentyl hexa-2,4-dienoate.

Molecular Properties

Compound Name5-(diethylamino)pentyl hexa-2,4-dienoate
PubChem CID54508576
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name5-(diethylamino)pentyl hexa-2,4-dienoate
SMILESCC=CC=CC(=O)OCCCCCN(CC)CC
InChIInChI=1S/C15H27NO2/c1-4-7-9-12-15(17)18-14-11-8-10-13-16(5-2)6-3/h4,7,9,12H,5-6,8,10-11,13-14H2,1-3H3
InChIKeyYHMJHOBWWRGBBB-UHFFFAOYSA-N
XLogP3.17
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(diethylamino)hexyl (2E,4E)-hexa-2,4-dienoate
CID 21249786
5-(diethylamino)pentyl (E)-but-2-enoate
CID 87067527
5-(dimethylamino)pentyl hexa-2,4-dienoate
CID 54421505
butyl (2Z,4E)-hexa-2,4-dienoate
CID 92529716
4-O-[2-(diethylamino)ethyl] 1-O-pentadecyl (E)-but-2-enedioate
CID 91698954
4-O-[2-(diethylamino)ethyl] 1-O-heptadecyl (E)-but-2-enedioate
CID 91698956
2-hexa-2,4-dienoyloxyethyl hexa-2,4-dienoate
CID 54422088
potassium;butyl (2E,4E)-hexa-2,4-dienoate;hydride
CID 173308758
bis[6-(diethylamino)hexyl] carbonate
CID 54452513
diundecyl (2E,4E)-hexa-2,4-dienedioate
CID 87457796
4-[ethyl(methyl)amino]butyl (E)-but-2-enoate
CID 87067638
bis[6-(diethylamino)hexyl] carbonate;hydrate;dihydrochloride
CID 173301568

Frequently Asked Questions

What is the IUPAC name of 5-(diethylamino)pentyl hexa-2,4-dienoate?
The IUPAC name of 5-(diethylamino)pentyl hexa-2,4-dienoate (CID 54508576) is 5-(diethylamino)pentyl hexa-2,4-dienoate.
What is the SMILES notation for 5-(diethylamino)pentyl hexa-2,4-dienoate?
The canonical SMILES for 5-(diethylamino)pentyl hexa-2,4-dienoate is CC=CC=CC(=O)OCCCCCN(CC)CC.
What is the InChIKey of 5-(diethylamino)pentyl hexa-2,4-dienoate?
The InChIKey is YHMJHOBWWRGBBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-4-7-9-12-15(17)18-14-11-8-10-13-16(5-2)6-3/h4,7,9,12H,5-6,8,10-11,13-14H2,1-3H3.
What are the key properties of 5-(diethylamino)pentyl hexa-2,4-dienoate?
5-(diethylamino)pentyl hexa-2,4-dienoate has a molecular weight of 253.39 g/mol, XLogP of 3.17, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylamino)pentyl hexa-2,4-dienoate is sourced from PubChem (CID 54508576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).