propyl dodeca-2,4-dienoate

C15H26O2 — CID 91204454

IUPACpropyl dodeca-2,4-dienoate
SMILESCCCCCCCC=CC=CC(=O)OCCC
InChIInChI=1S/C15H26O2/c1-3-5-6-7-8-9-10-11-12-13-15(16)17-14-4-2/h10-13H,3-9,14H2,1-2H3
InChIKeyUQEHWMHLQKAMSZ-UHFFFAOYSA-N
MW238.37 g/mol
LogP4.41
Rot. Bonds10

About propyl dodeca-2,4-dienoate

propyl dodeca-2,4-dienoate (PubChem CID 91204454) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is propyl dodeca-2,4-dienoate.

Molecular Properties

Compound Namepropyl dodeca-2,4-dienoate
PubChem CID91204454
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Namepropyl dodeca-2,4-dienoate
SMILESCCCCCCCC=CC=CC(=O)OCCC
InChIInChI=1S/C15H26O2/c1-3-5-6-7-8-9-10-11-12-13-15(16)17-14-4-2/h10-13H,3-9,14H2,1-2H3
InChIKeyUQEHWMHLQKAMSZ-UHFFFAOYSA-N
XLogP4.41
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

propyl octadeca-2,4-dienoate
CID 87964592
[(Z)-octadec-9-enyl] icosa-2,4,6-trienoate
CID 172556529
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
ethyl deca-2,4-dienoate;ethyl (2E,4Z)-deca-2,4-dienoate
CID 87304480
[(E)-hex-3-enyl] (2Z,4Z)-deca-2,4-dienoate
CID 20833816
2-methylpropyl docosa-2,4,6,8,10,12-hexaenoate
CID 139917793
(16-methoxy-16-oxohexadecyl) (2E,4E)-octadeca-2,4-dienoate
CID 19755631
methyl (4Z)-undeca-2,4-dienoate
CID 172824918
icosa-2,4-dieneperoxoic acid
CID 174983513
diundecyl (2E,4E)-hexa-2,4-dienedioate
CID 87457796
7-cyclopropylheptyl (2E,4E)-dodeca-2,4-dienoate
CID 21445853

Frequently Asked Questions

What is the IUPAC name of propyl dodeca-2,4-dienoate?
The IUPAC name of propyl dodeca-2,4-dienoate (CID 91204454) is propyl dodeca-2,4-dienoate.
What is the SMILES notation for propyl dodeca-2,4-dienoate?
The canonical SMILES for propyl dodeca-2,4-dienoate is CCCCCCCC=CC=CC(=O)OCCC.
What is the InChIKey of propyl dodeca-2,4-dienoate?
The InChIKey is UQEHWMHLQKAMSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2/c1-3-5-6-7-8-9-10-11-12-13-15(16)17-14-4-2/h10-13H,3-9,14H2,1-2H3.
What are the key properties of propyl dodeca-2,4-dienoate?
propyl dodeca-2,4-dienoate has a molecular weight of 238.37 g/mol, XLogP of 4.41, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propyl dodeca-2,4-dienoate is sourced from PubChem (CID 91204454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).