2-[(6R)-3-hydroxy-3,6,10-trimethylundecyl]-3,5-dimethylbenzene-1,4-diol;5-[(6R)-3-hydroxy-3,6,10-trimethylundecyl]-2,3-dimethylbenzene-1,4-diol;2-[(6R)-3-hydroxy-3,6,10-trimethylundecyl]-6-methylbenzene-1,4-diol;2-[(6R)-3-hydroxy-3,6,10-trimethylundecyl]-3,5,6-trimethylbenzene-1,4-diol

C88H152O12 — CID 162127438

About 2-[(6R)-3-hydroxy-3,6,10-trimethylundecyl]-3,5-dimethylbenzene-1,4-diol;5-[(6R)-3-hydroxy-3,6,10-trimethylundecyl]-2,3-dimethylbenzene-1,4-diol;2-[(6R)-3-hydroxy-3,6,10-trimethylundecyl]-6-methylbenzene-1,4-diol;2-[(6R)-3-hydroxy-3,6,10-trimethylundecyl]-3,5,6-trimethylbenzene-1,4-diol

2-[(6R)-3-hydroxy-3,6,10-trimethylundecyl]-3,5-dimethylbenzene-1,4-diol;5-[(6R)-3-hydroxy-3,6,10-trimethylundecyl]-2,3-dimethylbenzene-1,4-diol;2-[(6R)-3-hydroxy-3,6,10-trimethylundecyl]-6-methylbenzene-1,4-diol;2-[(6R)-3-hydroxy-3,6,10-trimethylundecyl]-3,5,6-trimethylbenzene-1,4-diol (PubChem CID 162127438) has the molecular formula C88H152O12 and a molecular weight of 1402.17 g/mol. Its IUPAC name is 2-[(6R)-3-hydroxy-3,6,10-trimethylundecyl]-3,5-dimethylbenzene-1,4-diol;5-[(6R)-3-hydroxy-3,6,10-trimethylundecyl]-2,3-dimethylbenzene-1,4-diol;2-[(6R)-3-hydroxy-3,6,10-trimethylundecyl]-6-methylbenzene-1,4-diol;2-[(6R)-3-hydroxy-3,6,10-trimethylundecyl]-3,5,6-trimethylbenzene-1,4-diol.

Molecular Properties

• Compound Name: 2-[(6R)-3-hydroxy-3,6,10-trimethylundecyl]-3,5-dimethylbenzene-1,4-diol;5-[(6R)-3-hydroxy-3,6,10-trimethylundecyl]-2,3-dimethylbenzene-1,4-diol;2-[(6R)-3-hydroxy-3,6,10-trimethylundecyl]-6-methylbenzene-1,4-diol;2-[(6R)-3-hydroxy-3,6,10-trimethylundecyl]-3,5,6-trimethylbenzene-1,4-diol
• PubChem CID: 162127438
• Molecular Formula: C88H152O12
• Molecular Weight: 1402.17 g/mol
• Exact Mass: 1401.13
• IUPAC Name: 2-[(6R)-3-hydroxy-3,6,10-trimethylundecyl]-3,5-dimethylbenzene-1,4-diol;5-[(6R)-3-hydroxy-3,6,10-trimethylundecyl]-2,3-dimethylbenzene-1,4-diol;2-[(6R)-3-hydroxy-3,6,10-trimethylundecyl]-6-methylbenzene-1,4-diol;2-[(6R)-3-hydroxy-3,6,10-trimethylundecyl]-3,5,6-trimethylbenzene-1,4-diol
• SMILES: Cc1c(C)c(O)c(CCC(C)(O)CC[C@H](C)CCCC(C)C)c(C)c1O.Cc1c(O)cc(CCC(C)(O)CC[C@H](C)CCCC(C)C)c(O)c1C.Cc1cc(O)c(CCC(C)(O)CC[C@H](C)CCCC(C)C)c(C)c1O.Cc1cc(O)cc(CCC(C)(O)CC[C@H](C)CCCC(C)C)c1O
• InChI: InChI=1S/C23H40O3.2C22H38O3.C21H36O3/c1-15(2)9-8-10-16(3)11-13-23(7,26)14-12-20-19(6)21(24)17(4)18(5)22(20)25;1-15(2)8-7-9-16(3)10-12-22(6,25)13-11-19-14-20(23)17(4)18(5)21(19)24;1-15(2)8-7-9-16(3)10-12-22(6,25)13-11-19-18(5)21(24)17(4)14-20(19)23;1-15(2)7-6-8-16(3)9-11-21(5,24)12-10-18-14-19(22)13-17(4)20(18)23/h15-16,24-26H,8-14H2,1-7H3;2*14-16,23-25H,7-13H2,1-6H3;13-16,22-24H,6-12H2,1-5H3/t16-,23?;2*16-,22?;16-,21?/m1111/s1
• InChIKey: ZIFLNSHMCHFXLS-BQFJHZKOSA-N
• XLogP: 22.56
• TPSA: 242.76 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 12
• Rotatable Bonds: 40
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1402.17
LogP ≤ 5	22.56
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[(6R)-3-hydroxy-3,6,10-trimethylundecyl]-3,5-dimethylbenzene-1,4-diol;5-[(6R)-3-hydroxy-3,6,10-trimethylundecyl]-2,3-dimethylbenzene-1,4-diol;2-[(6R)-3-hydroxy-3,6,10-trimethylundecyl]-6-methylbenzene-1,4-diol;2-[(6R)-3-hydroxy-3,6,10-trimethylundecyl]-3,5,6-trimethylbenzene-1,4-diol?

The IUPAC name of 2-[(6R)-3-hydroxy-3,6,10-trimethylundecyl]-3,5-dimethylbenzene-1,4-diol;5-[(6R)-3-hydroxy-3,6,10-trimethylundecyl]-2,3-dimethylbenzene-1,4-diol;2-[(6R)-3-hydroxy-3,6,10-trimethylundecyl]-6-methylbenzene-1,4-diol;2-[(6R)-3-hydroxy-3,6,10-trimethylundecyl]-3,5,6-trimethylbenzene-1,4-diol (CID 162127438) is 2-[(6R)-3-hydroxy-3,6,10-trimethylundecyl]-3,5-dimethylbenzene-1,4-diol;5-[(6R)-3-hydroxy-3,6,10-trimethylundecyl]-2,3-dimethylbenzene-1,4-diol;2-[(6R)-3-hydroxy-3,6,10-trimethylundecyl]-6-methylbenzene-1,4-diol;2-[(6R)-3-hydroxy-3,6,10-trimethylundecyl]-3,5,6-trimethylbenzene-1,4-diol.

What is the SMILES notation for 2-[(6R)-3-hydroxy-3,6,10-trimethylundecyl]-3,5-dimethylbenzene-1,4-diol;5-[(6R)-3-hydroxy-3,6,10-trimethylundecyl]-2,3-dimethylbenzene-1,4-diol;2-[(6R)-3-hydroxy-3,6,10-trimethylundecyl]-6-methylbenzene-1,4-diol;2-[(6R)-3-hydroxy-3,6,10-trimethylundecyl]-3,5,6-trimethylbenzene-1,4-diol?

The canonical SMILES for 2-[(6R)-3-hydroxy-3,6,10-trimethylundecyl]-3,5-dimethylbenzene-1,4-diol;5-[(6R)-3-hydroxy-3,6,10-trimethylundecyl]-2,3-dimethylbenzene-1,4-diol;2-[(6R)-3-hydroxy-3,6,10-trimethylundecyl]-6-methylbenzene-1,4-diol;2-[(6R)-3-hydroxy-3,6,10-trimethylundecyl]-3,5,6-trimethylbenzene-1,4-diol is Cc1c(C)c(O)c(CCC(C)(O)CC[C@H](C)CCCC(C)C)c(C)c1O.Cc1c(O)cc(CCC(C)(O)CC[C@H](C)CCCC(C)C)c(O)c1C.Cc1cc(O)c(CCC(C)(O)CC[C@H](C)CCCC(C)C)c(C)c1O.Cc1cc(O)cc(CCC(C)(O)CC[C@H](C)CCCC(C)C)c1O.

What is the InChIKey of 2-[(6R)-3-hydroxy-3,6,10-trimethylundecyl]-3,5-dimethylbenzene-1,4-diol;5-[(6R)-3-hydroxy-3,6,10-trimethylundecyl]-2,3-dimethylbenzene-1,4-diol;2-[(6R)-3-hydroxy-3,6,10-trimethylundecyl]-6-methylbenzene-1,4-diol;2-[(6R)-3-hydroxy-3,6,10-trimethylundecyl]-3,5,6-trimethylbenzene-1,4-diol?

The InChIKey is ZIFLNSHMCHFXLS-BQFJHZKOSA-N. The full InChI is InChI=1S/C23H40O3.2C22H38O3.C21H36O3/c1-15(2)9-8-10-16(3)11-13-23(7,26)14-12-20-19(6)21(24)17(4)18(5)22(20)25;1-15(2)8-7-9-16(3)10-12-22(6,25)13-11-19-14-20(23)17(4)18(5)21(19)24;1-15(2)8-7-9-16(3)10-12-22(6,25)13-11-19-18(5)21(24)17(4)14-20(19)23;1-15(2)7-6-8-16(3)9-11-21(5,24)12-10-18-14-19(22)13-17(4)20(18)23/h15-16,24-26H,8-14H2,1-7H3;2*14-16,23-25H,7-13H2,1-6H3;13-16,22-24H,6-12H2,1-5H3/t16-,23?;2*16-,22?;16-,21?/m1111/s1.

What are the key properties of 2-[(6R)-3-hydroxy-3,6,10-trimethylundecyl]-3,5-dimethylbenzene-1,4-diol;5-[(6R)-3-hydroxy-3,6,10-trimethylundecyl]-2,3-dimethylbenzene-1,4-diol;2-[(6R)-3-hydroxy-3,6,10-trimethylundecyl]-6-methylbenzene-1,4-diol;2-[(6R)-3-hydroxy-3,6,10-trimethylundecyl]-3,5,6-trimethylbenzene-1,4-diol?

2-[(6R)-3-hydroxy-3,6,10-trimethylundecyl]-3,5-dimethylbenzene-1,4-diol;5-[(6R)-3-hydroxy-3,6,10-trimethylundecyl]-2,3-dimethylbenzene-1,4-diol;2-[(6R)-3-hydroxy-3,6,10-trimethylundecyl]-6-methylbenzene-1,4-diol;2-[(6R)-3-hydroxy-3,6,10-trimethylundecyl]-3,5,6-trimethylbenzene-1,4-diol has a molecular weight of 1402.17 g/mol, XLogP of 22.56, 40 rotatable bonds, 12 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(6R)-3-hydroxy-3,6,10-trimethylundecyl]-3,5-dimethylbenzene-1,4-diol;5-[(6R)-3-hydroxy-3,6,10-trimethylundecyl]-2,3-dimethylbenzene-1,4-diol;2-[(6R)-3-hydroxy-3,6,10-trimethylundecyl]-6-methylbenzene-1,4-diol;2-[(6R)-3-hydroxy-3,6,10-trimethylundecyl]-3,5,6-trimethylbenzene-1,4-diol is sourced from PubChem (CID 162127438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).