tert-butyl [2-tert-butyl-4-[2-[5-tert-butyl-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]-1-dodecylsulfanylpropan-2-yl]-5-methylphenyl] carbonate;tert-butyl [2-tert-butyl-5-methyl-4-[1,5,5-tris[5-tert-butyl-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]pentyl]phenyl] carbonate;tert-butyl [2,6-ditert-butyl-4-[2-[3,5-ditert-butyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]propan-2-yl]phenyl] carbonate;tert-butyl [2-[2-[2-[(2-methylpropan-2-yl)oxycarbonyloxy]-5-nonyl-3-(2-phenylpropan-2-yl)phenyl]propan-2-yl]-4-nonyl-6-(2-phenylpropan-2-yl)phenyl] carbonate;tert-butyl phenyl carbonate;cumene

C238H354O33S — CID 161005834

About tert-butyl [2-tert-butyl-4-[2-[5-tert-butyl-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]-1-dodecylsulfanylpropan-2-yl]-5-methylphenyl] carbonate;tert-butyl [2-tert-butyl-5-methyl-4-[1,5,5-tris[5-tert-butyl-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]pentyl]phenyl] carbonate;tert-butyl [2,6-ditert-butyl-4-[2-[3,5-ditert-butyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]propan-2-yl]phenyl] carbonate;tert-butyl [2-[2-[2-[(2-methylpropan-2-yl)oxycarbonyloxy]-5-nonyl-3-(2-phenylpropan-2-yl)phenyl]propan-2-yl]-4-nonyl-6-(2-phenylpropan-2-yl)phenyl] carbonate;tert-butyl phenyl carbonate;cumene

tert-butyl [2-tert-butyl-4-[2-[5-tert-butyl-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]-1-dodecylsulfanylpropan-2-yl]-5-methylphenyl] carbonate;tert-butyl [2-tert-butyl-5-methyl-4-[1,5,5-tris[5-tert-butyl-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]pentyl]phenyl] carbonate;tert-butyl [2,6-ditert-butyl-4-[2-[3,5-ditert-butyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]propan-2-yl]phenyl] carbonate;tert-butyl [2-[2-[2-[(2-methylpropan-2-yl)oxycarbonyloxy]-5-nonyl-3-(2-phenylpropan-2-yl)phenyl]propan-2-yl]-4-nonyl-6-(2-phenylpropan-2-yl)phenyl] carbonate;tert-butyl phenyl carbonate;cumene (PubChem CID 161005834) has the molecular formula C238H354O33S and a molecular weight of 3775.48 g/mol. Its IUPAC name is tert-butyl [2-tert-butyl-4-[2-[5-tert-butyl-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]-1-dodecylsulfanylpropan-2-yl]-5-methylphenyl] carbonate;tert-butyl [2-tert-butyl-5-methyl-4-[1,5,5-tris[5-tert-butyl-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]pentyl]phenyl] carbonate;tert-butyl [2,6-ditert-butyl-4-[2-[3,5-ditert-butyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]propan-2-yl]phenyl] carbonate;tert-butyl [2-[2-[2-[(2-methylpropan-2-yl)oxycarbonyloxy]-5-nonyl-3-(2-phenylpropan-2-yl)phenyl]propan-2-yl]-4-nonyl-6-(2-phenylpropan-2-yl)phenyl] carbonate;tert-butyl phenyl carbonate;cumene.

Molecular Properties

• Compound Name: tert-butyl [2-tert-butyl-4-[2-[5-tert-butyl-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]-1-dodecylsulfanylpropan-2-yl]-5-methylphenyl] carbonate;tert-butyl [2-tert-butyl-5-methyl-4-[1,5,5-tris[5-tert-butyl-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]pentyl]phenyl] carbonate;tert-butyl [2,6-ditert-butyl-4-[2-[3,5-ditert-butyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]propan-2-yl]phenyl] carbonate;tert-butyl [2-[2-[2-[(2-methylpropan-2-yl)oxycarbonyloxy]-5-nonyl-3-(2-phenylpropan-2-yl)phenyl]propan-2-yl]-4-nonyl-6-(2-phenylpropan-2-yl)phenyl] carbonate;tert-butyl phenyl carbonate;cumene
• PubChem CID: 161005834
• Molecular Formula: C238H354O33S
• Molecular Weight: 3775.48 g/mol
• Exact Mass: 3772.57
• IUPAC Name: tert-butyl [2-tert-butyl-4-[2-[5-tert-butyl-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]-1-dodecylsulfanylpropan-2-yl]-5-methylphenyl] carbonate;tert-butyl [2-tert-butyl-5-methyl-4-[1,5,5-tris[5-tert-butyl-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]pentyl]phenyl] carbonate;tert-butyl [2,6-ditert-butyl-4-[2-[3,5-ditert-butyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]propan-2-yl]phenyl] carbonate;tert-butyl [2-[2-[2-[(2-methylpropan-2-yl)oxycarbonyloxy]-5-nonyl-3-(2-phenylpropan-2-yl)phenyl]propan-2-yl]-4-nonyl-6-(2-phenylpropan-2-yl)phenyl] carbonate;tert-butyl phenyl carbonate;cumene
• SMILES: CC(C)(C)OC(=O)Oc1c(C(C)(C)C)cc(C(C)(C)c2cc(C(C)(C)C)c(OC(=O)OC(C)(C)C)c(C(C)(C)C)c2)cc1C(C)(C)C.CC(C)(C)OC(=O)Oc1ccccc1.CC(C)c1ccccc1.CCCCCCCCCCCCSCC(C)(c1cc(C(C)(C)C)c(OC(=O)OC(C)(C)C)cc1C)c1cc(C(C)(C)C)c(OC(=O)OC(C)(C)C)cc1C.CCCCCCCCCc1cc(C(C)(C)c2ccccc2)c(OC(=O)OC(C)(C)C)c(C(C)(C)c2cc(CCCCCCCCC)cc(C(C)(C)c3ccccc3)c2OC(=O)OC(C)(C)C)c1.Cc1cc(OC(=O)OC(C)(C)C)c(C(C)(C)C)cc1C(CCCC(c1cc(C(C)(C)C)c(OC(=O)OC(C)(C)C)cc1C)c1cc(C(C)(C)C)c(OC(=O)OC(C)(C)C)cc1C)c1cc(C(C)(C)C)c(OC(=O)OC(C)(C)C)cc1C
• InChI: InChI=1S/C69H100O12.C61H88O6.C47H76O6S.C41H64O6.C11H14O3.C9H12/c1-40-32-54(74-58(70)78-66(17,18)19)50(62(5,6)7)36-46(40)44(47-37-51(63(8,9)10)55(33-41(47)2)75-59(71)79-67(20,21)22)30-29-31-45(48-38-52(64(11,12)13)56(34-42(48)3)76-60(72)80-68(23,24)25)49-39-53(65(14,15)16)57(35-43(49)4)77-61(73)81-69(26,27)28;1-15-17-19-21-23-25-29-35-45-41-49(59(9,10)47-37-31-27-32-38-47)53(64-55(62)66-57(3,4)5)51(43-45)61(13,14)52-44-46(36-30-26-24-22-20-18-16-2)42-50(54(52)65-56(63)67-58(6,7)8)60(11,12)48-39-33-28-34-40-48;1-17-18-19-20-21-22-23-24-25-26-27-54-32-47(16,35-30-37(43(4,5)6)39(28-33(35)2)50-41(48)52-45(10,11)12)36-31-38(44(7,8)9)40(29-34(36)3)51-42(49)53-46(13,14)15;1-35(2,3)27-21-25(22-28(36(4,5)6)31(27)44-33(42)46-39(13,14)15)41(19,20)26-23-29(37(7,8)9)32(30(24-26)38(10,11)12)45-34(43)47-40(16,17)18;1-11(2,3)14-10(12)13-9-7-5-4-6-8-9;1-8(2)9-6-4-3-5-7-9/h32-39,44-45H,29-31H2,1-28H3;27-28,31-34,37-44H,15-26,29-30,35-36H2,1-14H3;28-31H,17-27,32H2,1-16H3;21-24H,1-20H3;4-8H,1-3H3;3-8H,1-2H3
• InChIKey: TWMIQKDPNIBDTK-UHFFFAOYSA-N
• XLogP: 69.51
• TPSA: 390.83 Ų
• H-Bond Acceptors: 34
• Rotatable Bonds: 59
• Heavy Atoms: 272
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3775.48
LogP ≤ 5	69.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl [2-tert-butyl-4-[2-[5-tert-butyl-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]-1-dodecylsulfanylpropan-2-yl]-5-methylphenyl] carbonate;tert-butyl [2-tert-butyl-5-methyl-4-[1,5,5-tris[5-tert-butyl-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]pentyl]phenyl] carbonate;tert-butyl [2,6-ditert-butyl-4-[2-[3,5-ditert-butyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]propan-2-yl]phenyl] carbonate;tert-butyl [2-[2-[2-[(2-methylpropan-2-yl)oxycarbonyloxy]-5-nonyl-3-(2-phenylpropan-2-yl)phenyl]propan-2-yl]-4-nonyl-6-(2-phenylpropan-2-yl)phenyl] carbonate;tert-butyl phenyl carbonate;cumene?

The IUPAC name of tert-butyl [2-tert-butyl-4-[2-[5-tert-butyl-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]-1-dodecylsulfanylpropan-2-yl]-5-methylphenyl] carbonate;tert-butyl [2-tert-butyl-5-methyl-4-[1,5,5-tris[5-tert-butyl-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]pentyl]phenyl] carbonate;tert-butyl [2,6-ditert-butyl-4-[2-[3,5-ditert-butyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]propan-2-yl]phenyl] carbonate;tert-butyl [2-[2-[2-[(2-methylpropan-2-yl)oxycarbonyloxy]-5-nonyl-3-(2-phenylpropan-2-yl)phenyl]propan-2-yl]-4-nonyl-6-(2-phenylpropan-2-yl)phenyl] carbonate;tert-butyl phenyl carbonate;cumene (CID 161005834) is tert-butyl [2-tert-butyl-4-[2-[5-tert-butyl-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]-1-dodecylsulfanylpropan-2-yl]-5-methylphenyl] carbonate;tert-butyl [2-tert-butyl-5-methyl-4-[1,5,5-tris[5-tert-butyl-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]pentyl]phenyl] carbonate;tert-butyl [2,6-ditert-butyl-4-[2-[3,5-ditert-butyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]propan-2-yl]phenyl] carbonate;tert-butyl [2-[2-[2-[(2-methylpropan-2-yl)oxycarbonyloxy]-5-nonyl-3-(2-phenylpropan-2-yl)phenyl]propan-2-yl]-4-nonyl-6-(2-phenylpropan-2-yl)phenyl] carbonate;tert-butyl phenyl carbonate;cumene.

What is the SMILES notation for tert-butyl [2-tert-butyl-4-[2-[5-tert-butyl-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]-1-dodecylsulfanylpropan-2-yl]-5-methylphenyl] carbonate;tert-butyl [2-tert-butyl-5-methyl-4-[1,5,5-tris[5-tert-butyl-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]pentyl]phenyl] carbonate;tert-butyl [2,6-ditert-butyl-4-[2-[3,5-ditert-butyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]propan-2-yl]phenyl] carbonate;tert-butyl [2-[2-[2-[(2-methylpropan-2-yl)oxycarbonyloxy]-5-nonyl-3-(2-phenylpropan-2-yl)phenyl]propan-2-yl]-4-nonyl-6-(2-phenylpropan-2-yl)phenyl] carbonate;tert-butyl phenyl carbonate;cumene?

The canonical SMILES for tert-butyl [2-tert-butyl-4-[2-[5-tert-butyl-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]-1-dodecylsulfanylpropan-2-yl]-5-methylphenyl] carbonate;tert-butyl [2-tert-butyl-5-methyl-4-[1,5,5-tris[5-tert-butyl-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]pentyl]phenyl] carbonate;tert-butyl [2,6-ditert-butyl-4-[2-[3,5-ditert-butyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]propan-2-yl]phenyl] carbonate;tert-butyl [2-[2-[2-[(2-methylpropan-2-yl)oxycarbonyloxy]-5-nonyl-3-(2-phenylpropan-2-yl)phenyl]propan-2-yl]-4-nonyl-6-(2-phenylpropan-2-yl)phenyl] carbonate;tert-butyl phenyl carbonate;cumene is CC(C)(C)OC(=O)Oc1c(C(C)(C)C)cc(C(C)(C)c2cc(C(C)(C)C)c(OC(=O)OC(C)(C)C)c(C(C)(C)C)c2)cc1C(C)(C)C.CC(C)(C)OC(=O)Oc1ccccc1.CC(C)c1ccccc1.CCCCCCCCCCCCSCC(C)(c1cc(C(C)(C)C)c(OC(=O)OC(C)(C)C)cc1C)c1cc(C(C)(C)C)c(OC(=O)OC(C)(C)C)cc1C.CCCCCCCCCc1cc(C(C)(C)c2ccccc2)c(OC(=O)OC(C)(C)C)c(C(C)(C)c2cc(CCCCCCCCC)cc(C(C)(C)c3ccccc3)c2OC(=O)OC(C)(C)C)c1.Cc1cc(OC(=O)OC(C)(C)C)c(C(C)(C)C)cc1C(CCCC(c1cc(C(C)(C)C)c(OC(=O)OC(C)(C)C)cc1C)c1cc(C(C)(C)C)c(OC(=O)OC(C)(C)C)cc1C)c1cc(C(C)(C)C)c(OC(=O)OC(C)(C)C)cc1C.

What is the InChIKey of tert-butyl [2-tert-butyl-4-[2-[5-tert-butyl-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]-1-dodecylsulfanylpropan-2-yl]-5-methylphenyl] carbonate;tert-butyl [2-tert-butyl-5-methyl-4-[1,5,5-tris[5-tert-butyl-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]pentyl]phenyl] carbonate;tert-butyl [2,6-ditert-butyl-4-[2-[3,5-ditert-butyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]propan-2-yl]phenyl] carbonate;tert-butyl [2-[2-[2-[(2-methylpropan-2-yl)oxycarbonyloxy]-5-nonyl-3-(2-phenylpropan-2-yl)phenyl]propan-2-yl]-4-nonyl-6-(2-phenylpropan-2-yl)phenyl] carbonate;tert-butyl phenyl carbonate;cumene?

The InChIKey is TWMIQKDPNIBDTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H100O12.C61H88O6.C47H76O6S.C41H64O6.C11H14O3.C9H12/c1-40-32-54(74-58(70)78-66(17,18)19)50(62(5,6)7)36-46(40)44(47-37-51(63(8,9)10)55(33-41(47)2)75-59(71)79-67(20,21)22)30-29-31-45(48-38-52(64(11,12)13)56(34-42(48)3)76-60(72)80-68(23,24)25)49-39-53(65(14,15)16)57(35-43(49)4)77-61(73)81-69(26,27)28;1-15-17-19-21-23-25-29-35-45-41-49(59(9,10)47-37-31-27-32-38-47)53(64-55(62)66-57(3,4)5)51(43-45)61(13,14)52-44-46(36-30-26-24-22-20-18-16-2)42-50(54(52)65-56(63)67-58(6,7)8)60(11,12)48-39-33-28-34-40-48;1-17-18-19-20-21-22-23-24-25-26-27-54-32-47(16,35-30-37(43(4,5)6)39(28-33(35)2)50-41(48)52-45(10,11)12)36-31-38(44(7,8)9)40(29-34(36)3)51-42(49)53-46(13,14)15;1-35(2,3)27-21-25(22-28(36(4,5)6)31(27)44-33(42)46-39(13,14)15)41(19,20)26-23-29(37(7,8)9)32(30(24-26)38(10,11)12)45-34(43)47-40(16,17)18;1-11(2,3)14-10(12)13-9-7-5-4-6-8-9;1-8(2)9-6-4-3-5-7-9/h32-39,44-45H,29-31H2,1-28H3;27-28,31-34,37-44H,15-26,29-30,35-36H2,1-14H3;28-31H,17-27,32H2,1-16H3;21-24H,1-20H3;4-8H,1-3H3;3-8H,1-2H3.

What are the key properties of tert-butyl [2-tert-butyl-4-[2-[5-tert-butyl-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]-1-dodecylsulfanylpropan-2-yl]-5-methylphenyl] carbonate;tert-butyl [2-tert-butyl-5-methyl-4-[1,5,5-tris[5-tert-butyl-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]pentyl]phenyl] carbonate;tert-butyl [2,6-ditert-butyl-4-[2-[3,5-ditert-butyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]propan-2-yl]phenyl] carbonate;tert-butyl [2-[2-[2-[(2-methylpropan-2-yl)oxycarbonyloxy]-5-nonyl-3-(2-phenylpropan-2-yl)phenyl]propan-2-yl]-4-nonyl-6-(2-phenylpropan-2-yl)phenyl] carbonate;tert-butyl phenyl carbonate;cumene?

tert-butyl [2-tert-butyl-4-[2-[5-tert-butyl-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]-1-dodecylsulfanylpropan-2-yl]-5-methylphenyl] carbonate;tert-butyl [2-tert-butyl-5-methyl-4-[1,5,5-tris[5-tert-butyl-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]pentyl]phenyl] carbonate;tert-butyl [2,6-ditert-butyl-4-[2-[3,5-ditert-butyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]propan-2-yl]phenyl] carbonate;tert-butyl [2-[2-[2-[(2-methylpropan-2-yl)oxycarbonyloxy]-5-nonyl-3-(2-phenylpropan-2-yl)phenyl]propan-2-yl]-4-nonyl-6-(2-phenylpropan-2-yl)phenyl] carbonate;tert-butyl phenyl carbonate;cumene has a molecular weight of 3775.48 g/mol, XLogP of 69.51, 59 rotatable bonds, 0 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl [2-tert-butyl-4-[2-[5-tert-butyl-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]-1-dodecylsulfanylpropan-2-yl]-5-methylphenyl] carbonate;tert-butyl [2-tert-butyl-5-methyl-4-[1,5,5-tris[5-tert-butyl-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]pentyl]phenyl] carbonate;tert-butyl [2,6-ditert-butyl-4-[2-[3,5-ditert-butyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]propan-2-yl]phenyl] carbonate;tert-butyl [2-[2-[2-[(2-methylpropan-2-yl)oxycarbonyloxy]-5-nonyl-3-(2-phenylpropan-2-yl)phenyl]propan-2-yl]-4-nonyl-6-(2-phenylpropan-2-yl)phenyl] carbonate;tert-butyl phenyl carbonate;cumene is sourced from PubChem (CID 161005834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).