[2-[4-[3,5-ditert-butyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]-2-oxobutoxy]-3-[3-[3,5-ditert-butyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]propanoyloxy]-2-[3-[3,5-ditert-butyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]propanoyloxymethyl]propyl] 3-[3-tert-butyl-5-ethyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]propanoate

C91H136O20 — CID 135194048

About [2-[4-[3,5-ditert-butyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]-2-oxobutoxy]-3-[3-[3,5-ditert-butyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]propanoyloxy]-2-[3-[3,5-ditert-butyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]propanoyloxymethyl]propyl] 3-[3-tert-butyl-5-ethyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]propanoate

[2-[4-[3,5-ditert-butyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]-2-oxobutoxy]-3-[3-[3,5-ditert-butyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]propanoyloxy]-2-[3-[3,5-ditert-butyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]propanoyloxymethyl]propyl] 3-[3-tert-butyl-5-ethyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]propanoate (PubChem CID 135194048) has the molecular formula C91H136O20 and a molecular weight of 1550.07 g/mol. Its IUPAC name is [2-[4-[3,5-ditert-butyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]-2-oxobutoxy]-3-[3-[3,5-ditert-butyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]propanoyloxy]-2-[3-[3,5-ditert-butyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]propanoyloxymethyl]propyl] 3-[3-tert-butyl-5-ethyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]propanoate.

Molecular Properties

• Compound Name: [2-[4-[3,5-ditert-butyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]-2-oxobutoxy]-3-[3-[3,5-ditert-butyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]propanoyloxy]-2-[3-[3,5-ditert-butyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]propanoyloxymethyl]propyl] 3-[3-tert-butyl-5-ethyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]propanoate
• PubChem CID: 135194048
• Molecular Formula: C91H136O20
• Molecular Weight: 1550.07 g/mol
• Exact Mass: 1548.96
• IUPAC Name: [2-[4-[3,5-ditert-butyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]-2-oxobutoxy]-3-[3-[3,5-ditert-butyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]propanoyloxy]-2-[3-[3,5-ditert-butyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]propanoyloxymethyl]propyl] 3-[3-tert-butyl-5-ethyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]propanoate
• SMILES: CCc1cc(CCC(=O)OCC(COC(=O)CCc2cc(C(C)(C)C)c(OC(=O)OC(C)(C)C)c(C(C)(C)C)c2)(COC(=O)CCc2cc(C(C)(C)C)c(OC(=O)OC(C)(C)C)c(C(C)(C)C)c2)OCC(=O)CCc2cc(C(C)(C)C)c(OC(=O)OC(C)(C)C)c(C(C)(C)C)c2)cc(C(C)(C)C)c1OC(=O)OC(C)(C)C
• InChI: InChI=1S/C91H136O20/c1-35-60-44-56(45-62(80(2,3)4)72(60)104-76(96)108-87(23,24)25)37-41-69(93)100-53-91(54-101-70(94)42-38-58-48-65(83(11,12)13)74(66(49-58)84(14,15)16)106-78(98)110-89(29,30)31,55-102-71(95)43-39-59-50-67(85(17,18)19)75(68(51-59)86(20,21)22)107-79(99)111-90(32,33)34)103-52-61(92)40-36-57-46-63(81(5,6)7)73(64(47-57)82(8,9)10)105-77(97)109-88(26,27)28/h44-51H,35-43,52-55H2,1-34H3
• InChIKey: QFKADYMGICYPRI-UHFFFAOYSA-N
• XLogP: 21.37
• TPSA: 247.32 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 26
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1550.07
LogP ≤ 5	21.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'phenyl_carbonate', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [2-[4-[3,5-ditert-butyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]-2-oxobutoxy]-3-[3-[3,5-ditert-butyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]propanoyloxy]-2-[3-[3,5-ditert-butyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]propanoyloxymethyl]propyl] 3-[3-tert-butyl-5-ethyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]propanoate?

The IUPAC name of [2-[4-[3,5-ditert-butyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]-2-oxobutoxy]-3-[3-[3,5-ditert-butyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]propanoyloxy]-2-[3-[3,5-ditert-butyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]propanoyloxymethyl]propyl] 3-[3-tert-butyl-5-ethyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]propanoate (CID 135194048) is [2-[4-[3,5-ditert-butyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]-2-oxobutoxy]-3-[3-[3,5-ditert-butyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]propanoyloxy]-2-[3-[3,5-ditert-butyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]propanoyloxymethyl]propyl] 3-[3-tert-butyl-5-ethyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]propanoate.

What is the SMILES notation for [2-[4-[3,5-ditert-butyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]-2-oxobutoxy]-3-[3-[3,5-ditert-butyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]propanoyloxy]-2-[3-[3,5-ditert-butyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]propanoyloxymethyl]propyl] 3-[3-tert-butyl-5-ethyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]propanoate?

The canonical SMILES for [2-[4-[3,5-ditert-butyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]-2-oxobutoxy]-3-[3-[3,5-ditert-butyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]propanoyloxy]-2-[3-[3,5-ditert-butyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]propanoyloxymethyl]propyl] 3-[3-tert-butyl-5-ethyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]propanoate is CCc1cc(CCC(=O)OCC(COC(=O)CCc2cc(C(C)(C)C)c(OC(=O)OC(C)(C)C)c(C(C)(C)C)c2)(COC(=O)CCc2cc(C(C)(C)C)c(OC(=O)OC(C)(C)C)c(C(C)(C)C)c2)OCC(=O)CCc2cc(C(C)(C)C)c(OC(=O)OC(C)(C)C)c(C(C)(C)C)c2)cc(C(C)(C)C)c1OC(=O)OC(C)(C)C.

What is the InChIKey of [2-[4-[3,5-ditert-butyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]-2-oxobutoxy]-3-[3-[3,5-ditert-butyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]propanoyloxy]-2-[3-[3,5-ditert-butyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]propanoyloxymethyl]propyl] 3-[3-tert-butyl-5-ethyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]propanoate?

The InChIKey is QFKADYMGICYPRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C91H136O20/c1-35-60-44-56(45-62(80(2,3)4)72(60)104-76(96)108-87(23,24)25)37-41-69(93)100-53-91(54-101-70(94)42-38-58-48-65(83(11,12)13)74(66(49-58)84(14,15)16)106-78(98)110-89(29,30)31,55-102-71(95)43-39-59-50-67(85(17,18)19)75(68(51-59)86(20,21)22)107-79(99)111-90(32,33)34)103-52-61(92)40-36-57-46-63(81(5,6)7)73(64(47-57)82(8,9)10)105-77(97)109-88(26,27)28/h44-51H,35-43,52-55H2,1-34H3.

What are the key properties of [2-[4-[3,5-ditert-butyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]-2-oxobutoxy]-3-[3-[3,5-ditert-butyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]propanoyloxy]-2-[3-[3,5-ditert-butyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]propanoyloxymethyl]propyl] 3-[3-tert-butyl-5-ethyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]propanoate?

[2-[4-[3,5-ditert-butyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]-2-oxobutoxy]-3-[3-[3,5-ditert-butyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]propanoyloxy]-2-[3-[3,5-ditert-butyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]propanoyloxymethyl]propyl] 3-[3-tert-butyl-5-ethyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]propanoate has a molecular weight of 1550.07 g/mol, XLogP of 21.37, 26 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[4-[3,5-ditert-butyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]-2-oxobutoxy]-3-[3-[3,5-ditert-butyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]propanoyloxy]-2-[3-[3,5-ditert-butyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]propanoyloxymethyl]propyl] 3-[3-tert-butyl-5-ethyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]propanoate is sourced from PubChem (CID 135194048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).