[2-[3-[1-[3-[4-hydroxy-3-(2-methylbutan-2-yl)phenyl]propanoyloxy]-2-methylpropan-2-yl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]-2-methylpropyl] 3-[4-hydroxy-3-(2-methylbutan-2-yl)phenyl]propanoate

C43H64O10 — CID 139646376

About [2-[3-[1-[3-[4-hydroxy-3-(2-methylbutan-2-yl)phenyl]propanoyloxy]-2-methylpropan-2-yl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]-2-methylpropyl] 3-[4-hydroxy-3-(2-methylbutan-2-yl)phenyl]propanoate

[2-[3-[1-[3-[4-hydroxy-3-(2-methylbutan-2-yl)phenyl]propanoyloxy]-2-methylpropan-2-yl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]-2-methylpropyl] 3-[4-hydroxy-3-(2-methylbutan-2-yl)phenyl]propanoate (PubChem CID 139646376) has the molecular formula C43H64O10 and a molecular weight of 740.98 g/mol. Its IUPAC name is [2-[3-[1-[3-[4-hydroxy-3-(2-methylbutan-2-yl)phenyl]propanoyloxy]-2-methylpropan-2-yl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]-2-methylpropyl] 3-[4-hydroxy-3-(2-methylbutan-2-yl)phenyl]propanoate.

Molecular Properties

• Compound Name: [2-[3-[1-[3-[4-hydroxy-3-(2-methylbutan-2-yl)phenyl]propanoyloxy]-2-methylpropan-2-yl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]-2-methylpropyl] 3-[4-hydroxy-3-(2-methylbutan-2-yl)phenyl]propanoate
• PubChem CID: 139646376
• Molecular Formula: C43H64O10
• Molecular Weight: 740.98 g/mol
• Exact Mass: 740.45
• IUPAC Name: [2-[3-[1-[3-[4-hydroxy-3-(2-methylbutan-2-yl)phenyl]propanoyloxy]-2-methylpropan-2-yl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]-2-methylpropyl] 3-[4-hydroxy-3-(2-methylbutan-2-yl)phenyl]propanoate
• SMILES: CCC(C)(C)c1cc(CCC(=O)OCC(C)(C)C2OCC3(CO2)COC(C(C)(C)COC(=O)CCc2ccc(O)c(C(C)(C)CC)c2)OC3)ccc1O
• InChI: InChI=1S/C43H64O10/c1-11-39(3,4)31-21-29(13-17-33(31)44)15-19-35(46)48-23-41(7,8)37-50-25-43(26-51-37)27-52-38(53-28-43)42(9,10)24-49-36(47)20-16-30-14-18-34(45)32(22-30)40(5,6)12-2/h13-14,17-18,21-22,37-38,44-45H,11-12,15-16,19-20,23-28H2,1-10H3
• InChIKey: QYTKEGYKOHEVPU-UHFFFAOYSA-N
• XLogP: 7.91
• TPSA: 129.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 16
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	740.98
LogP ≤ 5	7.91
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of [2-[3-[1-[3-[4-hydroxy-3-(2-methylbutan-2-yl)phenyl]propanoyloxy]-2-methylpropan-2-yl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]-2-methylpropyl] 3-[4-hydroxy-3-(2-methylbutan-2-yl)phenyl]propanoate?

The IUPAC name of [2-[3-[1-[3-[4-hydroxy-3-(2-methylbutan-2-yl)phenyl]propanoyloxy]-2-methylpropan-2-yl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]-2-methylpropyl] 3-[4-hydroxy-3-(2-methylbutan-2-yl)phenyl]propanoate (CID 139646376) is [2-[3-[1-[3-[4-hydroxy-3-(2-methylbutan-2-yl)phenyl]propanoyloxy]-2-methylpropan-2-yl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]-2-methylpropyl] 3-[4-hydroxy-3-(2-methylbutan-2-yl)phenyl]propanoate.

What is the SMILES notation for [2-[3-[1-[3-[4-hydroxy-3-(2-methylbutan-2-yl)phenyl]propanoyloxy]-2-methylpropan-2-yl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]-2-methylpropyl] 3-[4-hydroxy-3-(2-methylbutan-2-yl)phenyl]propanoate?

The canonical SMILES for [2-[3-[1-[3-[4-hydroxy-3-(2-methylbutan-2-yl)phenyl]propanoyloxy]-2-methylpropan-2-yl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]-2-methylpropyl] 3-[4-hydroxy-3-(2-methylbutan-2-yl)phenyl]propanoate is CCC(C)(C)c1cc(CCC(=O)OCC(C)(C)C2OCC3(CO2)COC(C(C)(C)COC(=O)CCc2ccc(O)c(C(C)(C)CC)c2)OC3)ccc1O.

What is the InChIKey of [2-[3-[1-[3-[4-hydroxy-3-(2-methylbutan-2-yl)phenyl]propanoyloxy]-2-methylpropan-2-yl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]-2-methylpropyl] 3-[4-hydroxy-3-(2-methylbutan-2-yl)phenyl]propanoate?

The InChIKey is QYTKEGYKOHEVPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H64O10/c1-11-39(3,4)31-21-29(13-17-33(31)44)15-19-35(46)48-23-41(7,8)37-50-25-43(26-51-37)27-52-38(53-28-43)42(9,10)24-49-36(47)20-16-30-14-18-34(45)32(22-30)40(5,6)12-2/h13-14,17-18,21-22,37-38,44-45H,11-12,15-16,19-20,23-28H2,1-10H3.

What are the key properties of [2-[3-[1-[3-[4-hydroxy-3-(2-methylbutan-2-yl)phenyl]propanoyloxy]-2-methylpropan-2-yl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]-2-methylpropyl] 3-[4-hydroxy-3-(2-methylbutan-2-yl)phenyl]propanoate?

[2-[3-[1-[3-[4-hydroxy-3-(2-methylbutan-2-yl)phenyl]propanoyloxy]-2-methylpropan-2-yl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]-2-methylpropyl] 3-[4-hydroxy-3-(2-methylbutan-2-yl)phenyl]propanoate has a molecular weight of 740.98 g/mol, XLogP of 7.91, 16 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[3-[1-[3-[4-hydroxy-3-(2-methylbutan-2-yl)phenyl]propanoyloxy]-2-methylpropan-2-yl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]-2-methylpropyl] 3-[4-hydroxy-3-(2-methylbutan-2-yl)phenyl]propanoate is sourced from PubChem (CID 139646376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).