methyl deca-4,6-dienoate

C11H18O2 — CID 91208535

IUPACmethyl deca-4,6-dienoate
SMILESCCCC=CC=CCCC(=O)OC
InChIInChI=1S/C11H18O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h5-8H,3-4,9-10H2,1-2H3
InChIKeyCRNSPNJGLOELNF-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.85
Rot. Bonds6

About methyl deca-4,6-dienoate

methyl deca-4,6-dienoate (PubChem CID 91208535) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is methyl deca-4,6-dienoate.

Molecular Properties

Compound Namemethyl deca-4,6-dienoate
PubChem CID91208535
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Namemethyl deca-4,6-dienoate
SMILESCCCC=CC=CCCC(=O)OC
InChIInChI=1S/C11H18O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h5-8H,3-4,9-10H2,1-2H3
InChIKeyCRNSPNJGLOELNF-UHFFFAOYSA-N
XLogP2.85
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl deca-4,6-dienoate?
The IUPAC name of methyl deca-4,6-dienoate (CID 91208535) is methyl deca-4,6-dienoate.
What is the SMILES notation for methyl deca-4,6-dienoate?
The canonical SMILES for methyl deca-4,6-dienoate is CCCC=CC=CCCC(=O)OC.
What is the InChIKey of methyl deca-4,6-dienoate?
The InChIKey is CRNSPNJGLOELNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h5-8H,3-4,9-10H2,1-2H3.
What are the key properties of methyl deca-4,6-dienoate?
methyl deca-4,6-dienoate has a molecular weight of 182.26 g/mol, XLogP of 2.85, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl deca-4,6-dienoate is sourced from PubChem (CID 91208535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).