4-[2-[3-[1,3-bis[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]propan-2-yloxy]-2-cyclobutylpropoxy]butoxymethyl]-2,2-dimethyl-1,3-dioxolane

C32H58O11 — CID 143920166

About 4-[2-[3-[1,3-bis[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]propan-2-yloxy]-2-cyclobutylpropoxy]butoxymethyl]-2,2-dimethyl-1,3-dioxolane

4-[2-[3-[1,3-bis[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]propan-2-yloxy]-2-cyclobutylpropoxy]butoxymethyl]-2,2-dimethyl-1,3-dioxolane (PubChem CID 143920166) has the molecular formula C32H58O11 and a molecular weight of 618.81 g/mol. Its IUPAC name is 4-[2-[3-[1,3-bis[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]propan-2-yloxy]-2-cyclobutylpropoxy]butoxymethyl]-2,2-dimethyl-1,3-dioxolane.

Molecular Properties

• Compound Name: 4-[2-[3-[1,3-bis[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]propan-2-yloxy]-2-cyclobutylpropoxy]butoxymethyl]-2,2-dimethyl-1,3-dioxolane
• PubChem CID: 143920166
• Molecular Formula: C32H58O11
• Molecular Weight: 618.81 g/mol
• Exact Mass: 618.40
• IUPAC Name: 4-[2-[3-[1,3-bis[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]propan-2-yloxy]-2-cyclobutylpropoxy]butoxymethyl]-2,2-dimethyl-1,3-dioxolane
• SMILES: CCC(COCC1COC(C)(C)O1)OCC(COC(COCC1COC(C)(C)O1)COCC1COC(C)(C)O1)C1CCC1
• InChI: InChI=1S/C32H58O11/c1-8-25(14-33-17-27-20-38-30(2,3)41-27)36-12-24(23-10-9-11-23)13-37-26(15-34-18-28-21-39-31(4,5)42-28)16-35-19-29-22-40-32(6,7)43-29/h23-29H,8-22H2,1-7H3
• InChIKey: SQHRKBORTIFASX-UHFFFAOYSA-N
• XLogP: 4.09
• TPSA: 101.53 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 20
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	618.81
LogP ≤ 5	4.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-[1,3-bis[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]propan-2-yloxy]-2-cyclobutylpropoxy]butoxymethyl]-2,2-dimethyl-1,3-dioxolane?

The IUPAC name of 4-[2-[3-[1,3-bis[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]propan-2-yloxy]-2-cyclobutylpropoxy]butoxymethyl]-2,2-dimethyl-1,3-dioxolane (CID 143920166) is 4-[2-[3-[1,3-bis[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]propan-2-yloxy]-2-cyclobutylpropoxy]butoxymethyl]-2,2-dimethyl-1,3-dioxolane.

What is the SMILES notation for 4-[2-[3-[1,3-bis[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]propan-2-yloxy]-2-cyclobutylpropoxy]butoxymethyl]-2,2-dimethyl-1,3-dioxolane?

The canonical SMILES for 4-[2-[3-[1,3-bis[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]propan-2-yloxy]-2-cyclobutylpropoxy]butoxymethyl]-2,2-dimethyl-1,3-dioxolane is CCC(COCC1COC(C)(C)O1)OCC(COC(COCC1COC(C)(C)O1)COCC1COC(C)(C)O1)C1CCC1.

What is the InChIKey of 4-[2-[3-[1,3-bis[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]propan-2-yloxy]-2-cyclobutylpropoxy]butoxymethyl]-2,2-dimethyl-1,3-dioxolane?

The InChIKey is SQHRKBORTIFASX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H58O11/c1-8-25(14-33-17-27-20-38-30(2,3)41-27)36-12-24(23-10-9-11-23)13-37-26(15-34-18-28-21-39-31(4,5)42-28)16-35-19-29-22-40-32(6,7)43-29/h23-29H,8-22H2,1-7H3.

What are the key properties of 4-[2-[3-[1,3-bis[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]propan-2-yloxy]-2-cyclobutylpropoxy]butoxymethyl]-2,2-dimethyl-1,3-dioxolane?

4-[2-[3-[1,3-bis[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]propan-2-yloxy]-2-cyclobutylpropoxy]butoxymethyl]-2,2-dimethyl-1,3-dioxolane has a molecular weight of 618.81 g/mol, XLogP of 4.09, 20 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[3-[1,3-bis[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]propan-2-yloxy]-2-cyclobutylpropoxy]butoxymethyl]-2,2-dimethyl-1,3-dioxolane is sourced from PubChem (CID 143920166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).