1,3-bis(prop-1-enoxy)-2-[[3-prop-1-enoxy-2,2-bis(prop-1-enoxymethyl)propoxy]methyl]-2-(prop-1-enoxymethyl)propane

C₂₈H₄₆O₇ — CID 142315123

About 1,3-bis(prop-1-enoxy)-2-[[3-prop-1-enoxy-2,2-bis(prop-1-enoxymethyl)propoxy]methyl]-2-(prop-1-enoxymethyl)propane

1,3-bis(prop-1-enoxy)-2-[[3-prop-1-enoxy-2,2-bis(prop-1-enoxymethyl)propoxy]methyl]-2-(prop-1-enoxymethyl)propane (PubChem CID 142315123) has the molecular formula C₂₈H₄₆O₇ and a molecular weight of 494.67 g/mol. Its IUPAC name is 1,3-bis(prop-1-enoxy)-2-[[3-prop-1-enoxy-2,2-bis(prop-1-enoxymethyl)propoxy]methyl]-2-(prop-1-enoxymethyl)propane.

Molecular Properties

• Compound Name: 1,3-bis(prop-1-enoxy)-2-[[3-prop-1-enoxy-2,2-bis(prop-1-enoxymethyl)propoxy]methyl]-2-(prop-1-enoxymethyl)propane
• PubChem CID: 142315123
• Molecular Formula: C₂₈H₄₆O₇
• Molecular Weight: 494.67 g/mol
• Exact Mass: 494.32
• IUPAC Name: 1,3-bis(prop-1-enoxy)-2-[[3-prop-1-enoxy-2,2-bis(prop-1-enoxymethyl)propoxy]methyl]-2-(prop-1-enoxymethyl)propane
• SMILES: CC=COCC(COC=CC)(COC=CC)COCC(COC=CC)(COC=CC)COC=CC
• InChI: InChI=1S/C28H46O7/c1-7-13-29-19-27(20-30-14-8-2,21-31-15-9-3)25-35-26-28(22-32-16-10-4,23-33-17-11-5)24-34-18-12-6/h7-18H,19-26H2,1-6H3
• InChIKey: WZSNNNCOFFRDAX-UHFFFAOYSA-N
• XLogP: 6.28
• TPSA: 64.61 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 22
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	494.67
LogP ≤ 5	6.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(prop-1-enoxy)-2-[[3-prop-1-enoxy-2,2-bis(prop-1-enoxymethyl)propoxy]methyl]-2-(prop-1-enoxymethyl)propane?

The IUPAC name of 1,3-bis(prop-1-enoxy)-2-[[3-prop-1-enoxy-2,2-bis(prop-1-enoxymethyl)propoxy]methyl]-2-(prop-1-enoxymethyl)propane (CID 142315123) is 1,3-bis(prop-1-enoxy)-2-[[3-prop-1-enoxy-2,2-bis(prop-1-enoxymethyl)propoxy]methyl]-2-(prop-1-enoxymethyl)propane.

What is the SMILES notation for 1,3-bis(prop-1-enoxy)-2-[[3-prop-1-enoxy-2,2-bis(prop-1-enoxymethyl)propoxy]methyl]-2-(prop-1-enoxymethyl)propane?

The canonical SMILES for 1,3-bis(prop-1-enoxy)-2-[[3-prop-1-enoxy-2,2-bis(prop-1-enoxymethyl)propoxy]methyl]-2-(prop-1-enoxymethyl)propane is CC=COCC(COC=CC)(COC=CC)COCC(COC=CC)(COC=CC)COC=CC.

What is the InChIKey of 1,3-bis(prop-1-enoxy)-2-[[3-prop-1-enoxy-2,2-bis(prop-1-enoxymethyl)propoxy]methyl]-2-(prop-1-enoxymethyl)propane?

The InChIKey is WZSNNNCOFFRDAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H46O7/c1-7-13-29-19-27(20-30-14-8-2,21-31-15-9-3)25-35-26-28(22-32-16-10-4,23-33-17-11-5)24-34-18-12-6/h7-18H,19-26H2,1-6H3.

What are the key properties of 1,3-bis(prop-1-enoxy)-2-[[3-prop-1-enoxy-2,2-bis(prop-1-enoxymethyl)propoxy]methyl]-2-(prop-1-enoxymethyl)propane?

1,3-bis(prop-1-enoxy)-2-[[3-prop-1-enoxy-2,2-bis(prop-1-enoxymethyl)propoxy]methyl]-2-(prop-1-enoxymethyl)propane has a molecular weight of 494.67 g/mol, XLogP of 6.28, 22 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-bis(prop-1-enoxy)-2-[[3-prop-1-enoxy-2,2-bis(prop-1-enoxymethyl)propoxy]methyl]-2-(prop-1-enoxymethyl)propane is sourced from PubChem (CID 142315123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 142315123 — identifiers, structure, computed properties (public domain)

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