[(2E,4E)-2-ethenyl-5-methoxyhexa-2,4-dienyl] formate

C10H14O3 — CID 144761183

IUPAC[(2E,4E)-2-ethenyl-5-methoxyhexa-2,4-dienyl] formate
SMILESC=C/C(=C\C=C(/C)OC)COC=O
InChIInChI=1S/C10H14O3/c1-4-10(7-13-8-11)6-5-9(2)12-3/h4-6,8H,1,7H2,2-3H3/b9-5+,10-6+
InChIKeyFYECFLNZQFHSHC-NXZHAISVSA-N
MW182.22 g/mol
LogP1.82
Rot. Bonds6

About [(2E,4E)-2-ethenyl-5-methoxyhexa-2,4-dienyl] formate

[(2E,4E)-2-ethenyl-5-methoxyhexa-2,4-dienyl] formate (PubChem CID 144761183) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is [(2E,4E)-2-ethenyl-5-methoxyhexa-2,4-dienyl] formate.

Molecular Properties

Compound Name[(2E,4E)-2-ethenyl-5-methoxyhexa-2,4-dienyl] formate
PubChem CID144761183
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name[(2E,4E)-2-ethenyl-5-methoxyhexa-2,4-dienyl] formate
SMILESC=C/C(=C\C=C(/C)OC)COC=O
InChIInChI=1S/C10H14O3/c1-4-10(7-13-8-11)6-5-9(2)12-3/h4-6,8H,1,7H2,2-3H3/b9-5+,10-6+
InChIKeyFYECFLNZQFHSHC-NXZHAISVSA-N
XLogP1.82
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2E,4E)-2-ethenyl-5-methoxyhexa-2,4-dienyl] formate?
The IUPAC name of [(2E,4E)-2-ethenyl-5-methoxyhexa-2,4-dienyl] formate (CID 144761183) is [(2E,4E)-2-ethenyl-5-methoxyhexa-2,4-dienyl] formate.
What is the SMILES notation for [(2E,4E)-2-ethenyl-5-methoxyhexa-2,4-dienyl] formate?
The canonical SMILES for [(2E,4E)-2-ethenyl-5-methoxyhexa-2,4-dienyl] formate is C=C/C(=C\C=C(/C)OC)COC=O.
What is the InChIKey of [(2E,4E)-2-ethenyl-5-methoxyhexa-2,4-dienyl] formate?
The InChIKey is FYECFLNZQFHSHC-NXZHAISVSA-N. The full InChI is InChI=1S/C10H14O3/c1-4-10(7-13-8-11)6-5-9(2)12-3/h4-6,8H,1,7H2,2-3H3/b9-5+,10-6+.
What are the key properties of [(2E,4E)-2-ethenyl-5-methoxyhexa-2,4-dienyl] formate?
[(2E,4E)-2-ethenyl-5-methoxyhexa-2,4-dienyl] formate has a molecular weight of 182.22 g/mol, XLogP of 1.82, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E,4E)-2-ethenyl-5-methoxyhexa-2,4-dienyl] formate is sourced from PubChem (CID 144761183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).