6-(diethylamino)hexyl (2E,4E)-hexa-2,4-dienoate

C16H29NO2 — CID 21249786

IUPAC6-(diethylamino)hexyl (2E,4E)-hexa-2,4-dienoate
SMILESC/C=C/C=C/C(=O)OCCCCCCN(CC)CC
InChIInChI=1S/C16H29NO2/c1-4-7-10-13-16(18)19-15-12-9-8-11-14-17(5-2)6-3/h4,7,10,13H,5-6,8-9,11-12,14-15H2,1-3H3/b7-4+,13-10+
InChIKeyYGDOLRPGKCEEGH-NJPWYCGFSA-N
MW267.41 g/mol
LogP3.56
Rot. Bonds11

About 6-(diethylamino)hexyl (2E,4E)-hexa-2,4-dienoate

6-(diethylamino)hexyl (2E,4E)-hexa-2,4-dienoate (PubChem CID 21249786) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is 6-(diethylamino)hexyl (2E,4E)-hexa-2,4-dienoate.

Molecular Properties

Compound Name6-(diethylamino)hexyl (2E,4E)-hexa-2,4-dienoate
PubChem CID21249786
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Name6-(diethylamino)hexyl (2E,4E)-hexa-2,4-dienoate
SMILESC/C=C/C=C/C(=O)OCCCCCCN(CC)CC
InChIInChI=1S/C16H29NO2/c1-4-7-10-13-16(18)19-15-12-9-8-11-14-17(5-2)6-3/h4,7,10,13H,5-6,8-9,11-12,14-15H2,1-3H3/b7-4+,13-10+
InChIKeyYGDOLRPGKCEEGH-NJPWYCGFSA-N
XLogP3.56
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 53.56
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

5-(diethylamino)pentyl hexa-2,4-dienoate
CID 54508576
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 6-(diethylamino)hexyl (2E,4E)-hexa-2,4-dienoate?
The IUPAC name of 6-(diethylamino)hexyl (2E,4E)-hexa-2,4-dienoate (CID 21249786) is 6-(diethylamino)hexyl (2E,4E)-hexa-2,4-dienoate.
What is the SMILES notation for 6-(diethylamino)hexyl (2E,4E)-hexa-2,4-dienoate?
The canonical SMILES for 6-(diethylamino)hexyl (2E,4E)-hexa-2,4-dienoate is C/C=C/C=C/C(=O)OCCCCCCN(CC)CC.
What is the InChIKey of 6-(diethylamino)hexyl (2E,4E)-hexa-2,4-dienoate?
The InChIKey is YGDOLRPGKCEEGH-NJPWYCGFSA-N. The full InChI is InChI=1S/C16H29NO2/c1-4-7-10-13-16(18)19-15-12-9-8-11-14-17(5-2)6-3/h4,7,10,13H,5-6,8-9,11-12,14-15H2,1-3H3/b7-4+,13-10+.
What are the key properties of 6-(diethylamino)hexyl (2E,4E)-hexa-2,4-dienoate?
6-(diethylamino)hexyl (2E,4E)-hexa-2,4-dienoate has a molecular weight of 267.41 g/mol, XLogP of 3.56, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(diethylamino)hexyl (2E,4E)-hexa-2,4-dienoate is sourced from PubChem (CID 21249786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).