propyl (2E,4E)-deca-2,4-dienoate

C13H22O2 — CID 5362592

IUPACpropyl (2E,4E)-deca-2,4-dienoate
SMILESCCCCC/C=C/C=C/C(=O)OCCC
InChIInChI=1S/C13H22O2/c1-3-5-6-7-8-9-10-11-13(14)15-12-4-2/h8-11H,3-7,12H2,1-2H3/b9-8+,11-10+
InChIKeyRKDOXCGYGLYOBV-BNFZFUHLSA-N
MW210.32 g/mol
LogP3.63
Rot. Bonds8

About propyl (2E,4E)-deca-2,4-dienoate

propyl (2E,4E)-deca-2,4-dienoate (PubChem CID 5362592) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is propyl (2E,4E)-deca-2,4-dienoate.

Molecular Properties

Compound Namepropyl (2E,4E)-deca-2,4-dienoate
PubChem CID5362592
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Namepropyl (2E,4E)-deca-2,4-dienoate
SMILESCCCCC/C=C/C=C/C(=O)OCCC
InChIInChI=1S/C13H22O2/c1-3-5-6-7-8-9-10-11-13(14)15-12-4-2/h8-11H,3-7,12H2,1-2H3/b9-8+,11-10+
InChIKeyRKDOXCGYGLYOBV-BNFZFUHLSA-N
XLogP3.63
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.63
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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Frequently Asked Questions

What is the IUPAC name of propyl (2E,4E)-deca-2,4-dienoate?
The IUPAC name of propyl (2E,4E)-deca-2,4-dienoate (CID 5362592) is propyl (2E,4E)-deca-2,4-dienoate.
What is the SMILES notation for propyl (2E,4E)-deca-2,4-dienoate?
The canonical SMILES for propyl (2E,4E)-deca-2,4-dienoate is CCCCC/C=C/C=C/C(=O)OCCC.
What is the InChIKey of propyl (2E,4E)-deca-2,4-dienoate?
The InChIKey is RKDOXCGYGLYOBV-BNFZFUHLSA-N. The full InChI is InChI=1S/C13H22O2/c1-3-5-6-7-8-9-10-11-13(14)15-12-4-2/h8-11H,3-7,12H2,1-2H3/b9-8+,11-10+.
What are the key properties of propyl (2E,4E)-deca-2,4-dienoate?
propyl (2E,4E)-deca-2,4-dienoate has a molecular weight of 210.32 g/mol, XLogP of 3.63, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propyl (2E,4E)-deca-2,4-dienoate is sourced from PubChem (CID 5362592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).