4-(propoxymethyl)-5-[2-[2-(propoxymethyl)penta-3,4-dienoxy]ethoxy]penta-1,2-diene

C20H34O4 — CID 23572293

IUPAC4-(propoxymethyl)-5-[2-[2-(propoxymethyl)penta-3,4-dienoxy]ethoxy]penta-1,2-diene
SMILESC=C=CC(COCCC)COCCOCC(C=C=C)COCCC
InChIInChI=1S/C20H34O4/c1-5-9-19(15-21-11-7-3)17-23-13-14-24-18-20(10-6-2)16-22-12-8-4/h9-10,19-20H,1-2,7-8,11-18H2,3-4H3
InChIKeyVGVFQAQPAIODAY-UHFFFAOYSA-N
MW338.49 g/mol
LogP3.79
Rot. Bonds17

About 4-(propoxymethyl)-5-[2-[2-(propoxymethyl)penta-3,4-dienoxy]ethoxy]penta-1,2-diene

4-(propoxymethyl)-5-[2-[2-(propoxymethyl)penta-3,4-dienoxy]ethoxy]penta-1,2-diene (PubChem CID 23572293) has the molecular formula C20H34O4 and a molecular weight of 338.49 g/mol. Its IUPAC name is 4-(propoxymethyl)-5-[2-[2-(propoxymethyl)penta-3,4-dienoxy]ethoxy]penta-1,2-diene.

Molecular Properties

Compound Name4-(propoxymethyl)-5-[2-[2-(propoxymethyl)penta-3,4-dienoxy]ethoxy]penta-1,2-diene
PubChem CID23572293
Molecular FormulaC20H34O4
Molecular Weight338.49 g/mol
Exact Mass338.25
IUPAC Name4-(propoxymethyl)-5-[2-[2-(propoxymethyl)penta-3,4-dienoxy]ethoxy]penta-1,2-diene
SMILESC=C=CC(COCCC)COCCOCC(C=C=C)COCCC
InChIInChI=1S/C20H34O4/c1-5-9-19(15-21-11-7-3)17-23-13-14-24-18-20(10-6-2)16-22-12-8-4/h9-10,19-20H,1-2,7-8,11-18H2,3-4H3
InChIKeyVGVFQAQPAIODAY-UHFFFAOYSA-N
XLogP3.79
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.49
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(propoxymethyl)-5-[2-[2-(propoxymethyl)penta-3,4-dienoxy]ethoxy]penta-1,2-diene?
The IUPAC name of 4-(propoxymethyl)-5-[2-[2-(propoxymethyl)penta-3,4-dienoxy]ethoxy]penta-1,2-diene (CID 23572293) is 4-(propoxymethyl)-5-[2-[2-(propoxymethyl)penta-3,4-dienoxy]ethoxy]penta-1,2-diene.
What is the SMILES notation for 4-(propoxymethyl)-5-[2-[2-(propoxymethyl)penta-3,4-dienoxy]ethoxy]penta-1,2-diene?
The canonical SMILES for 4-(propoxymethyl)-5-[2-[2-(propoxymethyl)penta-3,4-dienoxy]ethoxy]penta-1,2-diene is C=C=CC(COCCC)COCCOCC(C=C=C)COCCC.
What is the InChIKey of 4-(propoxymethyl)-5-[2-[2-(propoxymethyl)penta-3,4-dienoxy]ethoxy]penta-1,2-diene?
The InChIKey is VGVFQAQPAIODAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O4/c1-5-9-19(15-21-11-7-3)17-23-13-14-24-18-20(10-6-2)16-22-12-8-4/h9-10,19-20H,1-2,7-8,11-18H2,3-4H3.
What are the key properties of 4-(propoxymethyl)-5-[2-[2-(propoxymethyl)penta-3,4-dienoxy]ethoxy]penta-1,2-diene?
4-(propoxymethyl)-5-[2-[2-(propoxymethyl)penta-3,4-dienoxy]ethoxy]penta-1,2-diene has a molecular weight of 338.49 g/mol, XLogP of 3.79, 17 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(propoxymethyl)-5-[2-[2-(propoxymethyl)penta-3,4-dienoxy]ethoxy]penta-1,2-diene is sourced from PubChem (CID 23572293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).