[(E)-hex-3-enyl] (2Z,4Z)-deca-2,4-dienoate

C16H26O2 — CID 20833816

IUPAC[(E)-hex-3-enyl] (2Z,4Z)-deca-2,4-dienoate
SMILESCC/C=C/CCOC(=O)/C=C\C=C/CCCCC
InChIInChI=1S/C16H26O2/c1-3-5-7-9-10-11-12-14-16(17)18-15-13-8-6-4-2/h6,8,10-12,14H,3-5,7,9,13,15H2,1-2H3/b8-6+,11-10-,14-12-
InChIKeyGDCDHOABPPVBLT-DBQLZJNWSA-N
MW250.38 g/mol
LogP4.58
Rot. Bonds10

About [(E)-hex-3-enyl] (2Z,4Z)-deca-2,4-dienoate

[(E)-hex-3-enyl] (2Z,4Z)-deca-2,4-dienoate (PubChem CID 20833816) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is [(E)-hex-3-enyl] (2Z,4Z)-deca-2,4-dienoate.

Molecular Properties

Compound Name[(E)-hex-3-enyl] (2Z,4Z)-deca-2,4-dienoate
PubChem CID20833816
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name[(E)-hex-3-enyl] (2Z,4Z)-deca-2,4-dienoate
SMILESCC/C=C/CCOC(=O)/C=C\C=C/CCCCC
InChIInChI=1S/C16H26O2/c1-3-5-7-9-10-11-12-14-16(17)18-15-13-8-6-4-2/h6,8,10-12,14H,3-5,7,9,13,15H2,1-2H3/b8-6+,11-10-,14-12-
InChIKeyGDCDHOABPPVBLT-DBQLZJNWSA-N
XLogP4.58
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 54.58
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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze [(E)-hex-3-enyl] (2Z,4Z)-deca-2,4-dienoate with MolForge

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Related Compounds

[(Z)-octadec-9-enyl] icosa-2,4,6-trienoate
CID 172556529
propyl octadeca-2,4-dienoate
CID 87964592
propyl dodeca-2,4-dienoate
CID 91204454
1-O-heptadecyl 4-O-[(E)-hex-3-enyl] (E)-but-2-enedioate
CID 91697881
1-O-decyl 4-O-[(E)-hex-3-enyl] (E)-but-2-enedioate
CID 91697820
ethyl deca-2,4-dienoate;ethyl (2E,4Z)-deca-2,4-dienoate
CID 87304480
ethyl (2E,4E,6E,8E,10E)-tetracosa-2,4,6,8,10-pentaenoate
CID 166789450
ethyl (2E,4E,6E,8E,10E)-henicosa-2,4,6,8,10-pentaenoate
CID 74223057
bis[(E)-octadec-9-enyl] (E)-but-2-enedioate
CID 6436864
2-methylpropyl docosa-2,4,6,8,10,12-hexaenoate
CID 139917793
(16-methoxy-16-oxohexadecyl) (2E,4E)-octadeca-2,4-dienoate
CID 19755631
ethyl (2E,4E,6Z,9Z)-pentadeca-2,4,6,9-tetraenoate
CID 23252965

Frequently Asked Questions

What is the IUPAC name of [(E)-hex-3-enyl] (2Z,4Z)-deca-2,4-dienoate?
The IUPAC name of [(E)-hex-3-enyl] (2Z,4Z)-deca-2,4-dienoate (CID 20833816) is [(E)-hex-3-enyl] (2Z,4Z)-deca-2,4-dienoate.
What is the SMILES notation for [(E)-hex-3-enyl] (2Z,4Z)-deca-2,4-dienoate?
The canonical SMILES for [(E)-hex-3-enyl] (2Z,4Z)-deca-2,4-dienoate is CC/C=C/CCOC(=O)/C=C\C=C/CCCCC.
What is the InChIKey of [(E)-hex-3-enyl] (2Z,4Z)-deca-2,4-dienoate?
The InChIKey is GDCDHOABPPVBLT-DBQLZJNWSA-N. The full InChI is InChI=1S/C16H26O2/c1-3-5-7-9-10-11-12-14-16(17)18-15-13-8-6-4-2/h6,8,10-12,14H,3-5,7,9,13,15H2,1-2H3/b8-6+,11-10-,14-12-.
What are the key properties of [(E)-hex-3-enyl] (2Z,4Z)-deca-2,4-dienoate?
[(E)-hex-3-enyl] (2Z,4Z)-deca-2,4-dienoate has a molecular weight of 250.38 g/mol, XLogP of 4.58, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-hex-3-enyl] (2Z,4Z)-deca-2,4-dienoate is sourced from PubChem (CID 20833816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).