butanedioic acid;2-[2-[2-[2-[2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol

C28H56O13 — CID 175203515

About butanedioic acid;2-[2-[2-[2-[2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol

butanedioic acid;2-[2-[2-[2-[2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol (PubChem CID 175203515) has the molecular formula C28H56O13 and a molecular weight of 600.74 g/mol. Its IUPAC name is butanedioic acid;2-[2-[2-[2-[2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol.

Molecular Properties

• Compound Name: butanedioic acid;2-[2-[2-[2-[2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
• PubChem CID: 175203515
• Molecular Formula: C28H56O13
• Molecular Weight: 600.74 g/mol
• Exact Mass: 600.37
• IUPAC Name: butanedioic acid;2-[2-[2-[2-[2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
• SMILES: CC(O)COC(C)COC(C)COC(C)COC(C)COC(C)COC(C)COC(C)CO.O=C(O)CCC(=O)O
• InChI: InChI=1S/C24H50O9.C4H6O4/c1-17(26)10-27-19(3)12-29-21(5)14-31-23(7)16-33-24(8)15-32-22(6)13-30-20(4)11-28-18(2)9-25;5-3(6)1-2-4(7)8/h17-26H,9-16H2,1-8H3;1-2H2,(H,5,6)(H,7,8)
• InChIKey: BREIUGMDINDGGM-UHFFFAOYSA-N
• XLogP: 2.13
• TPSA: 179.67 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 25
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	600.74
LogP ≤ 5	2.13
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of butanedioic acid;2-[2-[2-[2-[2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol?

The IUPAC name of butanedioic acid;2-[2-[2-[2-[2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol (CID 175203515) is butanedioic acid;2-[2-[2-[2-[2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol.

What is the SMILES notation for butanedioic acid;2-[2-[2-[2-[2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol?

The canonical SMILES for butanedioic acid;2-[2-[2-[2-[2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol is CC(O)COC(C)COC(C)COC(C)COC(C)COC(C)COC(C)COC(C)CO.O=C(O)CCC(=O)O.

What is the InChIKey of butanedioic acid;2-[2-[2-[2-[2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol?

The InChIKey is BREIUGMDINDGGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H50O9.C4H6O4/c1-17(26)10-27-19(3)12-29-21(5)14-31-23(7)16-33-24(8)15-32-22(6)13-30-20(4)11-28-18(2)9-25;5-3(6)1-2-4(7)8/h17-26H,9-16H2,1-8H3;1-2H2,(H,5,6)(H,7,8).

What are the key properties of butanedioic acid;2-[2-[2-[2-[2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol?

butanedioic acid;2-[2-[2-[2-[2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol has a molecular weight of 600.74 g/mol, XLogP of 2.13, 25 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for butanedioic acid;2-[2-[2-[2-[2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol is sourced from PubChem (CID 175203515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).