[(1Z,3Z)-4-formyloxybuta-1,3-dienyl] formate

C6H6O4 — CID 87622234

IUPAC[(1Z,3Z)-4-formyloxybuta-1,3-dienyl] formate
SMILESO=CO/C=C\C=C/OC=O
InChIInChI=1S/C6H6O4/c7-5-9-3-1-2-4-10-6-8/h1-6H/b3-1-,4-2-
InChIKeyHYBMMBRJVPPXBK-CCAGOZQPSA-N
MW142.11 g/mol
LogP0.36
Rot. Bonds5

About [(1Z,3Z)-4-formyloxybuta-1,3-dienyl] formate

[(1Z,3Z)-4-formyloxybuta-1,3-dienyl] formate (PubChem CID 87622234) has the molecular formula C6H6O4 and a molecular weight of 142.11 g/mol. Its IUPAC name is [(1Z,3Z)-4-formyloxybuta-1,3-dienyl] formate.

Molecular Properties

Compound Name[(1Z,3Z)-4-formyloxybuta-1,3-dienyl] formate
PubChem CID87622234
Molecular FormulaC6H6O4
Molecular Weight142.11 g/mol
Exact Mass142.03
IUPAC Name[(1Z,3Z)-4-formyloxybuta-1,3-dienyl] formate
SMILESO=CO/C=C\C=C/OC=O
InChIInChI=1S/C6H6O4/c7-5-9-3-1-2-4-10-6-8/h1-6H/b3-1-,4-2-
InChIKeyHYBMMBRJVPPXBK-CCAGOZQPSA-N
XLogP0.36
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.11
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 [(1Z,3Z)-4-formyloxybuta-1,3-dienyl] formate?
The IUPAC name of [(1Z,3Z)-4-formyloxybuta-1,3-dienyl] formate (CID 87622234) is [(1Z,3Z)-4-formyloxybuta-1,3-dienyl] formate.
What is the SMILES notation for [(1Z,3Z)-4-formyloxybuta-1,3-dienyl] formate?
The canonical SMILES for [(1Z,3Z)-4-formyloxybuta-1,3-dienyl] formate is O=CO/C=C\C=C/OC=O.
What is the InChIKey of [(1Z,3Z)-4-formyloxybuta-1,3-dienyl] formate?
The InChIKey is HYBMMBRJVPPXBK-CCAGOZQPSA-N. The full InChI is InChI=1S/C6H6O4/c7-5-9-3-1-2-4-10-6-8/h1-6H/b3-1-,4-2-.
What are the key properties of [(1Z,3Z)-4-formyloxybuta-1,3-dienyl] formate?
[(1Z,3Z)-4-formyloxybuta-1,3-dienyl] formate has a molecular weight of 142.11 g/mol, XLogP of 0.36, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1Z,3Z)-4-formyloxybuta-1,3-dienyl] formate is sourced from PubChem (CID 87622234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).