methyl (4E,8E)-deca-4,8-dienoate

C11H18O2 — CID 6428540

IUPACmethyl (4E,8E)-deca-4,8-dienoate
SMILESC/C=C/CC/C=C/CCC(=O)OC
InChIInChI=1S/C11H18O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h3-4,7-8H,5-6,9-10H2,1-2H3/b4-3+,8-7+
InChIKeyZYNYTTXGMNCKDP-DYWGDJMRSA-N
MW182.26 g/mol
LogP2.85
Rot. Bonds6

About methyl (4E,8E)-deca-4,8-dienoate

methyl (4E,8E)-deca-4,8-dienoate (PubChem CID 6428540) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is methyl (4E,8E)-deca-4,8-dienoate.

Molecular Properties

Compound Namemethyl (4E,8E)-deca-4,8-dienoate
PubChem CID6428540
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Namemethyl (4E,8E)-deca-4,8-dienoate
SMILESC/C=C/CC/C=C/CCC(=O)OC
InChIInChI=1S/C11H18O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h3-4,7-8H,5-6,9-10H2,1-2H3/b4-3+,8-7+
InChIKeyZYNYTTXGMNCKDP-DYWGDJMRSA-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl (4E,8E)-deca-4,8-dienoate?
The IUPAC name of methyl (4E,8E)-deca-4,8-dienoate (CID 6428540) is methyl (4E,8E)-deca-4,8-dienoate.
What is the SMILES notation for methyl (4E,8E)-deca-4,8-dienoate?
The canonical SMILES for methyl (4E,8E)-deca-4,8-dienoate is C/C=C/CC/C=C/CCC(=O)OC.
What is the InChIKey of methyl (4E,8E)-deca-4,8-dienoate?
The InChIKey is ZYNYTTXGMNCKDP-DYWGDJMRSA-N. The full InChI is InChI=1S/C11H18O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h3-4,7-8H,5-6,9-10H2,1-2H3/b4-3+,8-7+.
What are the key properties of methyl (4E,8E)-deca-4,8-dienoate?
methyl (4E,8E)-deca-4,8-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 (4E,8E)-deca-4,8-dienoate is sourced from PubChem (CID 6428540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).