1,4-diethoxypenta-1,2-diene

C9H16O2 — CID 12735271

IUPAC1,4-diethoxypenta-1,2-diene
SMILESCCOC=C=CC(C)OCC
InChIInChI=1S/C9H16O2/c1-4-10-8-6-7-9(3)11-5-2/h7-9H,4-5H2,1-3H3
InChIKeyRIFKHKCAEYMZDR-UHFFFAOYSA-N
MW156.22 g/mol
LogP2.12
Rot. Bonds5

About 1,4-diethoxypenta-1,2-diene

1,4-diethoxypenta-1,2-diene (PubChem CID 12735271) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 1,4-diethoxypenta-1,2-diene.

Molecular Properties

Compound Name1,4-diethoxypenta-1,2-diene
PubChem CID12735271
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name1,4-diethoxypenta-1,2-diene
SMILESCCOC=C=CC(C)OCC
InChIInChI=1S/C9H16O2/c1-4-10-8-6-7-9(3)11-5-2/h7-9H,4-5H2,1-3H3
InChIKeyRIFKHKCAEYMZDR-UHFFFAOYSA-N
XLogP2.12
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,4-diethoxypenta-1,2-diene?
The IUPAC name of 1,4-diethoxypenta-1,2-diene (CID 12735271) is 1,4-diethoxypenta-1,2-diene.
What is the SMILES notation for 1,4-diethoxypenta-1,2-diene?
The canonical SMILES for 1,4-diethoxypenta-1,2-diene is CCOC=C=CC(C)OCC.
What is the InChIKey of 1,4-diethoxypenta-1,2-diene?
The InChIKey is RIFKHKCAEYMZDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-4-10-8-6-7-9(3)11-5-2/h7-9H,4-5H2,1-3H3.
What are the key properties of 1,4-diethoxypenta-1,2-diene?
1,4-diethoxypenta-1,2-diene has a molecular weight of 156.22 g/mol, XLogP of 2.12, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diethoxypenta-1,2-diene is sourced from PubChem (CID 12735271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).