6-[5-[3-[5-(5-carboxy-5-methylhexyl)-3,6-dihydroxycyclohexa-1,4-dien-1-yl]propyl]-3,6-dihydroxycyclohexa-1,4-dien-1-yl]-2,2-dimethylhexanoic acid;6-[3-[3-[3-(5-carboxy-5-methylhexyl)-2-hydroxycyclohexyl]propyl]-2-hydroxycyclohexyl]-2,2-dimethylhexanoic acid;6-[5-[3-[5-(5-carboxy-5-methylhexyl)-6-hydroxy-3,3-dimethylcyclohexa-1,4-dien-1-yl]propyl]-6-hydroxy-3,3-dimethylcyclohexa-1,4-dien-1-yl]-2,2-dimethylhexanoic acid;6-[5-[3-[3,6-dihydroxy-5-(6-hydroxy-5,5-dimethylhexyl)cyclohexa-1,4-dien-1-yl]propyl]-3,6-dihydroxycyclohexa-1,4-dien-1-yl]-2,2-dimethylhexanoic acid;2-[3-[3,6-dihydroxy-5-(6-hydroxy-5,5-dimethylhexyl)cyclohexa-1,4-dien-1-yl]propyl]-6-(6-hydroxy-5,5-dimethylhexyl)cyclohexa-2,5-diene-1,4-diol;2-(6-hydroxy-5,5-dimethylhexyl)-6-[3-[6-hydroxy-5-(6-hydroxy-5,5-dimethylhexyl)-3,3-dimethylcyclohexa-1,4-dien-1-yl]propyl]-4,4-dimethylcyclohexa-2,5-dien-1-ol;6-[6-hydroxy-5-[3-[6-hydroxy-5-(6-hydroxy-5,5-dimethylhexyl)-3,3-dimethylcyclohexa-1,4-dien-1-yl]propyl]-3,3-dimethylcyclohexa-1,4-dien-1-yl]-2,2-dimethylhexanoic acid

C229H380O42 — CID 157281566

About 6-[5-[3-[5-(5-carboxy-5-methylhexyl)-3,6-dihydroxycyclohexa-1,4-dien-1-yl]propyl]-3,6-dihydroxycyclohexa-1,4-dien-1-yl]-2,2-dimethylhexanoic acid;6-[3-[3-[3-(5-carboxy-5-methylhexyl)-2-hydroxycyclohexyl]propyl]-2-hydroxycyclohexyl]-2,2-dimethylhexanoic acid;6-[5-[3-[5-(5-carboxy-5-methylhexyl)-6-hydroxy-3,3-dimethylcyclohexa-1,4-dien-1-yl]propyl]-6-hydroxy-3,3-dimethylcyclohexa-1,4-dien-1-yl]-2,2-dimethylhexanoic acid;6-[5-[3-[3,6-dihydroxy-5-(6-hydroxy-5,5-dimethylhexyl)cyclohexa-1,4-dien-1-yl]propyl]-3,6-dihydroxycyclohexa-1,4-dien-1-yl]-2,2-dimethylhexanoic acid;2-[3-[3,6-dihydroxy-5-(6-hydroxy-5,5-dimethylhexyl)cyclohexa-1,4-dien-1-yl]propyl]-6-(6-hydroxy-5,5-dimethylhexyl)cyclohexa-2,5-diene-1,4-diol;2-(6-hydroxy-5,5-dimethylhexyl)-6-[3-[6-hydroxy-5-(6-hydroxy-5,5-dimethylhexyl)-3,3-dimethylcyclohexa-1,4-dien-1-yl]propyl]-4,4-dimethylcyclohexa-2,5-dien-1-ol;6-[6-hydroxy-5-[3-[6-hydroxy-5-(6-hydroxy-5,5-dimethylhexyl)-3,3-dimethylcyclohexa-1,4-dien-1-yl]propyl]-3,3-dimethylcyclohexa-1,4-dien-1-yl]-2,2-dimethylhexanoic acid

6-[5-[3-[5-(5-carboxy-5-methylhexyl)-3,6-dihydroxycyclohexa-1,4-dien-1-yl]propyl]-3,6-dihydroxycyclohexa-1,4-dien-1-yl]-2,2-dimethylhexanoic acid;6-[3-[3-[3-(5-carboxy-5-methylhexyl)-2-hydroxycyclohexyl]propyl]-2-hydroxycyclohexyl]-2,2-dimethylhexanoic acid;6-[5-[3-[5-(5-carboxy-5-methylhexyl)-6-hydroxy-3,3-dimethylcyclohexa-1,4-dien-1-yl]propyl]-6-hydroxy-3,3-dimethylcyclohexa-1,4-dien-1-yl]-2,2-dimethylhexanoic acid;6-[5-[3-[3,6-dihydroxy-5-(6-hydroxy-5,5-dimethylhexyl)cyclohexa-1,4-dien-1-yl]propyl]-3,6-dihydroxycyclohexa-1,4-dien-1-yl]-2,2-dimethylhexanoic acid;2-[3-[3,6-dihydroxy-5-(6-hydroxy-5,5-dimethylhexyl)cyclohexa-1,4-dien-1-yl]propyl]-6-(6-hydroxy-5,5-dimethylhexyl)cyclohexa-2,5-diene-1,4-diol;2-(6-hydroxy-5,5-dimethylhexyl)-6-[3-[6-hydroxy-5-(6-hydroxy-5,5-dimethylhexyl)-3,3-dimethylcyclohexa-1,4-dien-1-yl]propyl]-4,4-dimethylcyclohexa-2,5-dien-1-ol;6-[6-hydroxy-5-[3-[6-hydroxy-5-(6-hydroxy-5,5-dimethylhexyl)-3,3-dimethylcyclohexa-1,4-dien-1-yl]propyl]-3,3-dimethylcyclohexa-1,4-dien-1-yl]-2,2-dimethylhexanoic acid (PubChem CID 157281566) has the molecular formula C229H380O42 and a molecular weight of 3805.52 g/mol. Its IUPAC name is 6-[5-[3-[5-(5-carboxy-5-methylhexyl)-3,6-dihydroxycyclohexa-1,4-dien-1-yl]propyl]-3,6-dihydroxycyclohexa-1,4-dien-1-yl]-2,2-dimethylhexanoic acid;6-[3-[3-[3-(5-carboxy-5-methylhexyl)-2-hydroxycyclohexyl]propyl]-2-hydroxycyclohexyl]-2,2-dimethylhexanoic acid;6-[5-[3-[5-(5-carboxy-5-methylhexyl)-6-hydroxy-3,3-dimethylcyclohexa-1,4-dien-1-yl]propyl]-6-hydroxy-3,3-dimethylcyclohexa-1,4-dien-1-yl]-2,2-dimethylhexanoic acid;6-[5-[3-[3,6-dihydroxy-5-(6-hydroxy-5,5-dimethylhexyl)cyclohexa-1,4-dien-1-yl]propyl]-3,6-dihydroxycyclohexa-1,4-dien-1-yl]-2,2-dimethylhexanoic acid;2-[3-[3,6-dihydroxy-5-(6-hydroxy-5,5-dimethylhexyl)cyclohexa-1,4-dien-1-yl]propyl]-6-(6-hydroxy-5,5-dimethylhexyl)cyclohexa-2,5-diene-1,4-diol;2-(6-hydroxy-5,5-dimethylhexyl)-6-[3-[6-hydroxy-5-(6-hydroxy-5,5-dimethylhexyl)-3,3-dimethylcyclohexa-1,4-dien-1-yl]propyl]-4,4-dimethylcyclohexa-2,5-dien-1-ol;6-[6-hydroxy-5-[3-[6-hydroxy-5-(6-hydroxy-5,5-dimethylhexyl)-3,3-dimethylcyclohexa-1,4-dien-1-yl]propyl]-3,3-dimethylcyclohexa-1,4-dien-1-yl]-2,2-dimethylhexanoic acid.

Molecular Properties

• Compound Name: 6-[5-[3-[5-(5-carboxy-5-methylhexyl)-3,6-dihydroxycyclohexa-1,4-dien-1-yl]propyl]-3,6-dihydroxycyclohexa-1,4-dien-1-yl]-2,2-dimethylhexanoic acid;6-[3-[3-[3-(5-carboxy-5-methylhexyl)-2-hydroxycyclohexyl]propyl]-2-hydroxycyclohexyl]-2,2-dimethylhexanoic acid;6-[5-[3-[5-(5-carboxy-5-methylhexyl)-6-hydroxy-3,3-dimethylcyclohexa-1,4-dien-1-yl]propyl]-6-hydroxy-3,3-dimethylcyclohexa-1,4-dien-1-yl]-2,2-dimethylhexanoic acid;6-[5-[3-[3,6-dihydroxy-5-(6-hydroxy-5,5-dimethylhexyl)cyclohexa-1,4-dien-1-yl]propyl]-3,6-dihydroxycyclohexa-1,4-dien-1-yl]-2,2-dimethylhexanoic acid;2-[3-[3,6-dihydroxy-5-(6-hydroxy-5,5-dimethylhexyl)cyclohexa-1,4-dien-1-yl]propyl]-6-(6-hydroxy-5,5-dimethylhexyl)cyclohexa-2,5-diene-1,4-diol;2-(6-hydroxy-5,5-dimethylhexyl)-6-[3-[6-hydroxy-5-(6-hydroxy-5,5-dimethylhexyl)-3,3-dimethylcyclohexa-1,4-dien-1-yl]propyl]-4,4-dimethylcyclohexa-2,5-dien-1-ol;6-[6-hydroxy-5-[3-[6-hydroxy-5-(6-hydroxy-5,5-dimethylhexyl)-3,3-dimethylcyclohexa-1,4-dien-1-yl]propyl]-3,3-dimethylcyclohexa-1,4-dien-1-yl]-2,2-dimethylhexanoic acid
• PubChem CID: 157281566
• Molecular Formula: C229H380O42
• Molecular Weight: 3805.52 g/mol
• Exact Mass: 3802.76
• IUPAC Name: 6-[5-[3-[5-(5-carboxy-5-methylhexyl)-3,6-dihydroxycyclohexa-1,4-dien-1-yl]propyl]-3,6-dihydroxycyclohexa-1,4-dien-1-yl]-2,2-dimethylhexanoic acid;6-[3-[3-[3-(5-carboxy-5-methylhexyl)-2-hydroxycyclohexyl]propyl]-2-hydroxycyclohexyl]-2,2-dimethylhexanoic acid;6-[5-[3-[5-(5-carboxy-5-methylhexyl)-6-hydroxy-3,3-dimethylcyclohexa-1,4-dien-1-yl]propyl]-6-hydroxy-3,3-dimethylcyclohexa-1,4-dien-1-yl]-2,2-dimethylhexanoic acid;6-[5-[3-[3,6-dihydroxy-5-(6-hydroxy-5,5-dimethylhexyl)cyclohexa-1,4-dien-1-yl]propyl]-3,6-dihydroxycyclohexa-1,4-dien-1-yl]-2,2-dimethylhexanoic acid;2-[3-[3,6-dihydroxy-5-(6-hydroxy-5,5-dimethylhexyl)cyclohexa-1,4-dien-1-yl]propyl]-6-(6-hydroxy-5,5-dimethylhexyl)cyclohexa-2,5-diene-1,4-diol;2-(6-hydroxy-5,5-dimethylhexyl)-6-[3-[6-hydroxy-5-(6-hydroxy-5,5-dimethylhexyl)-3,3-dimethylcyclohexa-1,4-dien-1-yl]propyl]-4,4-dimethylcyclohexa-2,5-dien-1-ol;6-[6-hydroxy-5-[3-[6-hydroxy-5-(6-hydroxy-5,5-dimethylhexyl)-3,3-dimethylcyclohexa-1,4-dien-1-yl]propyl]-3,3-dimethylcyclohexa-1,4-dien-1-yl]-2,2-dimethylhexanoic acid
• SMILES: CC(C)(CCCCC1=CC(O)C=C(CCCC2=CC(O)C=C(CCCCC(C)(C)C(=O)O)C2O)C1O)C(=O)O.CC(C)(CCCCC1CCCC(CCCC2CCCC(CCCCC(C)(C)C(=O)O)C2O)C1O)C(=O)O.CC(C)(CO)CCCCC1=CC(O)C=C(CCCC2=CC(O)C=C(CCCCC(C)(C)C(=O)O)C2O)C1O.CC(C)(CO)CCCCC1=CC(O)C=C(CCCC2=CC(O)C=C(CCCCC(C)(C)CO)C2O)C1O.CC1(C)C=C(CCCCC(C)(C)C(=O)O)C(O)C(CCCC2=CC(C)(C)C=C(CCCCC(C)(C)C(=O)O)C2O)=C1.CC1(C)C=C(CCCCC(C)(C)CO)C(O)C(CCCC2=CC(C)(C)C=C(CCCCC(C)(C)C(=O)O)C2O)=C1.CC1(C)C=C(CCCCC(C)(C)CO)C(O)C(CCCC2=CC(C)(C)C=C(CCCCC(C)(C)CO)C2O)=C1
• InChI: InChI=1S/C35H56O6.C35H58O5.C35H60O4.C31H48O8.C31H50O7.C31H56O6.C31H52O6/c1-32(2)20-24(14-9-11-18-34(5,6)30(38)39)28(36)26(22-32)16-13-17-27-23-33(3,4)21-25(29(27)37)15-10-12-19-35(7,8)31(40)41;1-32(2,24-36)18-11-9-14-25-20-33(3,4)22-27(29(25)37)16-13-17-28-23-34(5,6)21-26(30(28)38)15-10-12-19-35(7,8)31(39)40;1-32(2,24-36)18-11-9-14-26-20-34(5,6)22-28(30(26)38)16-13-17-29-23-35(7,8)21-27(31(29)39)15-10-12-19-33(3,4)25-37;1-30(2,28(36)37)14-7-5-10-20-16-24(32)18-22(26(20)34)12-9-13-23-19-25(33)17-21(27(23)35)11-6-8-15-31(3,4)29(38)39;1-30(2,20-32)14-7-5-10-21-16-25(33)18-23(27(21)35)12-9-13-24-19-26(34)17-22(28(24)36)11-6-8-15-31(3,4)29(37)38;1-30(2,28(34)35)20-7-5-12-22-14-9-16-24(26(22)32)18-11-19-25-17-10-15-23(27(25)33)13-6-8-21-31(3,4)29(36)37;1-30(2,20-32)14-7-5-10-22-16-26(34)18-24(28(22)36)12-9-13-25-19-27(35)17-23(29(25)37)11-6-8-15-31(3,4)21-33/h20-23,28-29,36-37H,9-19H2,1-8H3,(H,38,39)(H,40,41);20-23,29-30,36-38H,9-19,24H2,1-8H3,(H,39,40);20-23,30-31,36-39H,9-19,24-25H2,1-8H3;16-19,24-27,32-35H,5-15H2,1-4H3,(H,36,37)(H,38,39);16-19,25-28,32-36H,5-15,20H2,1-4H3,(H,37,38);22-27,32-33H,5-21H2,1-4H3,(H,34,35)(H,36,37);16-19,26-29,32-37H,5-15,20-21H2,1-4H3
• InChIKey: AZSNKHJDPCIDTO-UHFFFAOYSA-N
• XLogP: 44.54
• TPSA: 824.38 Ų
• H-Bond Donors: 34
• H-Bond Acceptors: 34
• Rotatable Bonds: 112
• Heavy Atoms: 271
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3805.52
LogP ≤ 5	44.54
H-Bond Donors ≤ 5	34
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[5-[3-[5-(5-carboxy-5-methylhexyl)-3,6-dihydroxycyclohexa-1,4-dien-1-yl]propyl]-3,6-dihydroxycyclohexa-1,4-dien-1-yl]-2,2-dimethylhexanoic acid;6-[3-[3-[3-(5-carboxy-5-methylhexyl)-2-hydroxycyclohexyl]propyl]-2-hydroxycyclohexyl]-2,2-dimethylhexanoic acid;6-[5-[3-[5-(5-carboxy-5-methylhexyl)-6-hydroxy-3,3-dimethylcyclohexa-1,4-dien-1-yl]propyl]-6-hydroxy-3,3-dimethylcyclohexa-1,4-dien-1-yl]-2,2-dimethylhexanoic acid;6-[5-[3-[3,6-dihydroxy-5-(6-hydroxy-5,5-dimethylhexyl)cyclohexa-1,4-dien-1-yl]propyl]-3,6-dihydroxycyclohexa-1,4-dien-1-yl]-2,2-dimethylhexanoic acid;2-[3-[3,6-dihydroxy-5-(6-hydroxy-5,5-dimethylhexyl)cyclohexa-1,4-dien-1-yl]propyl]-6-(6-hydroxy-5,5-dimethylhexyl)cyclohexa-2,5-diene-1,4-diol;2-(6-hydroxy-5,5-dimethylhexyl)-6-[3-[6-hydroxy-5-(6-hydroxy-5,5-dimethylhexyl)-3,3-dimethylcyclohexa-1,4-dien-1-yl]propyl]-4,4-dimethylcyclohexa-2,5-dien-1-ol;6-[6-hydroxy-5-[3-[6-hydroxy-5-(6-hydroxy-5,5-dimethylhexyl)-3,3-dimethylcyclohexa-1,4-dien-1-yl]propyl]-3,3-dimethylcyclohexa-1,4-dien-1-yl]-2,2-dimethylhexanoic acid?

The IUPAC name of 6-[5-[3-[5-(5-carboxy-5-methylhexyl)-3,6-dihydroxycyclohexa-1,4-dien-1-yl]propyl]-3,6-dihydroxycyclohexa-1,4-dien-1-yl]-2,2-dimethylhexanoic acid;6-[3-[3-[3-(5-carboxy-5-methylhexyl)-2-hydroxycyclohexyl]propyl]-2-hydroxycyclohexyl]-2,2-dimethylhexanoic acid;6-[5-[3-[5-(5-carboxy-5-methylhexyl)-6-hydroxy-3,3-dimethylcyclohexa-1,4-dien-1-yl]propyl]-6-hydroxy-3,3-dimethylcyclohexa-1,4-dien-1-yl]-2,2-dimethylhexanoic acid;6-[5-[3-[3,6-dihydroxy-5-(6-hydroxy-5,5-dimethylhexyl)cyclohexa-1,4-dien-1-yl]propyl]-3,6-dihydroxycyclohexa-1,4-dien-1-yl]-2,2-dimethylhexanoic acid;2-[3-[3,6-dihydroxy-5-(6-hydroxy-5,5-dimethylhexyl)cyclohexa-1,4-dien-1-yl]propyl]-6-(6-hydroxy-5,5-dimethylhexyl)cyclohexa-2,5-diene-1,4-diol;2-(6-hydroxy-5,5-dimethylhexyl)-6-[3-[6-hydroxy-5-(6-hydroxy-5,5-dimethylhexyl)-3,3-dimethylcyclohexa-1,4-dien-1-yl]propyl]-4,4-dimethylcyclohexa-2,5-dien-1-ol;6-[6-hydroxy-5-[3-[6-hydroxy-5-(6-hydroxy-5,5-dimethylhexyl)-3,3-dimethylcyclohexa-1,4-dien-1-yl]propyl]-3,3-dimethylcyclohexa-1,4-dien-1-yl]-2,2-dimethylhexanoic acid (CID 157281566) is 6-[5-[3-[5-(5-carboxy-5-methylhexyl)-3,6-dihydroxycyclohexa-1,4-dien-1-yl]propyl]-3,6-dihydroxycyclohexa-1,4-dien-1-yl]-2,2-dimethylhexanoic acid;6-[3-[3-[3-(5-carboxy-5-methylhexyl)-2-hydroxycyclohexyl]propyl]-2-hydroxycyclohexyl]-2,2-dimethylhexanoic acid;6-[5-[3-[5-(5-carboxy-5-methylhexyl)-6-hydroxy-3,3-dimethylcyclohexa-1,4-dien-1-yl]propyl]-6-hydroxy-3,3-dimethylcyclohexa-1,4-dien-1-yl]-2,2-dimethylhexanoic acid;6-[5-[3-[3,6-dihydroxy-5-(6-hydroxy-5,5-dimethylhexyl)cyclohexa-1,4-dien-1-yl]propyl]-3,6-dihydroxycyclohexa-1,4-dien-1-yl]-2,2-dimethylhexanoic acid;2-[3-[3,6-dihydroxy-5-(6-hydroxy-5,5-dimethylhexyl)cyclohexa-1,4-dien-1-yl]propyl]-6-(6-hydroxy-5,5-dimethylhexyl)cyclohexa-2,5-diene-1,4-diol;2-(6-hydroxy-5,5-dimethylhexyl)-6-[3-[6-hydroxy-5-(6-hydroxy-5,5-dimethylhexyl)-3,3-dimethylcyclohexa-1,4-dien-1-yl]propyl]-4,4-dimethylcyclohexa-2,5-dien-1-ol;6-[6-hydroxy-5-[3-[6-hydroxy-5-(6-hydroxy-5,5-dimethylhexyl)-3,3-dimethylcyclohexa-1,4-dien-1-yl]propyl]-3,3-dimethylcyclohexa-1,4-dien-1-yl]-2,2-dimethylhexanoic acid.

What is the SMILES notation for 6-[5-[3-[5-(5-carboxy-5-methylhexyl)-3,6-dihydroxycyclohexa-1,4-dien-1-yl]propyl]-3,6-dihydroxycyclohexa-1,4-dien-1-yl]-2,2-dimethylhexanoic acid;6-[3-[3-[3-(5-carboxy-5-methylhexyl)-2-hydroxycyclohexyl]propyl]-2-hydroxycyclohexyl]-2,2-dimethylhexanoic acid;6-[5-[3-[5-(5-carboxy-5-methylhexyl)-6-hydroxy-3,3-dimethylcyclohexa-1,4-dien-1-yl]propyl]-6-hydroxy-3,3-dimethylcyclohexa-1,4-dien-1-yl]-2,2-dimethylhexanoic acid;6-[5-[3-[3,6-dihydroxy-5-(6-hydroxy-5,5-dimethylhexyl)cyclohexa-1,4-dien-1-yl]propyl]-3,6-dihydroxycyclohexa-1,4-dien-1-yl]-2,2-dimethylhexanoic acid;2-[3-[3,6-dihydroxy-5-(6-hydroxy-5,5-dimethylhexyl)cyclohexa-1,4-dien-1-yl]propyl]-6-(6-hydroxy-5,5-dimethylhexyl)cyclohexa-2,5-diene-1,4-diol;2-(6-hydroxy-5,5-dimethylhexyl)-6-[3-[6-hydroxy-5-(6-hydroxy-5,5-dimethylhexyl)-3,3-dimethylcyclohexa-1,4-dien-1-yl]propyl]-4,4-dimethylcyclohexa-2,5-dien-1-ol;6-[6-hydroxy-5-[3-[6-hydroxy-5-(6-hydroxy-5,5-dimethylhexyl)-3,3-dimethylcyclohexa-1,4-dien-1-yl]propyl]-3,3-dimethylcyclohexa-1,4-dien-1-yl]-2,2-dimethylhexanoic acid?

The canonical SMILES for 6-[5-[3-[5-(5-carboxy-5-methylhexyl)-3,6-dihydroxycyclohexa-1,4-dien-1-yl]propyl]-3,6-dihydroxycyclohexa-1,4-dien-1-yl]-2,2-dimethylhexanoic acid;6-[3-[3-[3-(5-carboxy-5-methylhexyl)-2-hydroxycyclohexyl]propyl]-2-hydroxycyclohexyl]-2,2-dimethylhexanoic acid;6-[5-[3-[5-(5-carboxy-5-methylhexyl)-6-hydroxy-3,3-dimethylcyclohexa-1,4-dien-1-yl]propyl]-6-hydroxy-3,3-dimethylcyclohexa-1,4-dien-1-yl]-2,2-dimethylhexanoic acid;6-[5-[3-[3,6-dihydroxy-5-(6-hydroxy-5,5-dimethylhexyl)cyclohexa-1,4-dien-1-yl]propyl]-3,6-dihydroxycyclohexa-1,4-dien-1-yl]-2,2-dimethylhexanoic acid;2-[3-[3,6-dihydroxy-5-(6-hydroxy-5,5-dimethylhexyl)cyclohexa-1,4-dien-1-yl]propyl]-6-(6-hydroxy-5,5-dimethylhexyl)cyclohexa-2,5-diene-1,4-diol;2-(6-hydroxy-5,5-dimethylhexyl)-6-[3-[6-hydroxy-5-(6-hydroxy-5,5-dimethylhexyl)-3,3-dimethylcyclohexa-1,4-dien-1-yl]propyl]-4,4-dimethylcyclohexa-2,5-dien-1-ol;6-[6-hydroxy-5-[3-[6-hydroxy-5-(6-hydroxy-5,5-dimethylhexyl)-3,3-dimethylcyclohexa-1,4-dien-1-yl]propyl]-3,3-dimethylcyclohexa-1,4-dien-1-yl]-2,2-dimethylhexanoic acid is CC(C)(CCCCC1=CC(O)C=C(CCCC2=CC(O)C=C(CCCCC(C)(C)C(=O)O)C2O)C1O)C(=O)O.CC(C)(CCCCC1CCCC(CCCC2CCCC(CCCCC(C)(C)C(=O)O)C2O)C1O)C(=O)O.CC(C)(CO)CCCCC1=CC(O)C=C(CCCC2=CC(O)C=C(CCCCC(C)(C)C(=O)O)C2O)C1O.CC(C)(CO)CCCCC1=CC(O)C=C(CCCC2=CC(O)C=C(CCCCC(C)(C)CO)C2O)C1O.CC1(C)C=C(CCCCC(C)(C)C(=O)O)C(O)C(CCCC2=CC(C)(C)C=C(CCCCC(C)(C)C(=O)O)C2O)=C1.CC1(C)C=C(CCCCC(C)(C)CO)C(O)C(CCCC2=CC(C)(C)C=C(CCCCC(C)(C)C(=O)O)C2O)=C1.CC1(C)C=C(CCCCC(C)(C)CO)C(O)C(CCCC2=CC(C)(C)C=C(CCCCC(C)(C)CO)C2O)=C1.

What is the InChIKey of 6-[5-[3-[5-(5-carboxy-5-methylhexyl)-3,6-dihydroxycyclohexa-1,4-dien-1-yl]propyl]-3,6-dihydroxycyclohexa-1,4-dien-1-yl]-2,2-dimethylhexanoic acid;6-[3-[3-[3-(5-carboxy-5-methylhexyl)-2-hydroxycyclohexyl]propyl]-2-hydroxycyclohexyl]-2,2-dimethylhexanoic acid;6-[5-[3-[5-(5-carboxy-5-methylhexyl)-6-hydroxy-3,3-dimethylcyclohexa-1,4-dien-1-yl]propyl]-6-hydroxy-3,3-dimethylcyclohexa-1,4-dien-1-yl]-2,2-dimethylhexanoic acid;6-[5-[3-[3,6-dihydroxy-5-(6-hydroxy-5,5-dimethylhexyl)cyclohexa-1,4-dien-1-yl]propyl]-3,6-dihydroxycyclohexa-1,4-dien-1-yl]-2,2-dimethylhexanoic acid;2-[3-[3,6-dihydroxy-5-(6-hydroxy-5,5-dimethylhexyl)cyclohexa-1,4-dien-1-yl]propyl]-6-(6-hydroxy-5,5-dimethylhexyl)cyclohexa-2,5-diene-1,4-diol;2-(6-hydroxy-5,5-dimethylhexyl)-6-[3-[6-hydroxy-5-(6-hydroxy-5,5-dimethylhexyl)-3,3-dimethylcyclohexa-1,4-dien-1-yl]propyl]-4,4-dimethylcyclohexa-2,5-dien-1-ol;6-[6-hydroxy-5-[3-[6-hydroxy-5-(6-hydroxy-5,5-dimethylhexyl)-3,3-dimethylcyclohexa-1,4-dien-1-yl]propyl]-3,3-dimethylcyclohexa-1,4-dien-1-yl]-2,2-dimethylhexanoic acid?

The InChIKey is AZSNKHJDPCIDTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H56O6.C35H58O5.C35H60O4.C31H48O8.C31H50O7.C31H56O6.C31H52O6/c1-32(2)20-24(14-9-11-18-34(5,6)30(38)39)28(36)26(22-32)16-13-17-27-23-33(3,4)21-25(29(27)37)15-10-12-19-35(7,8)31(40)41;1-32(2,24-36)18-11-9-14-25-20-33(3,4)22-27(29(25)37)16-13-17-28-23-34(5,6)21-26(30(28)38)15-10-12-19-35(7,8)31(39)40;1-32(2,24-36)18-11-9-14-26-20-34(5,6)22-28(30(26)38)16-13-17-29-23-35(7,8)21-27(31(29)39)15-10-12-19-33(3,4)25-37;1-30(2,28(36)37)14-7-5-10-20-16-24(32)18-22(26(20)34)12-9-13-23-19-25(33)17-21(27(23)35)11-6-8-15-31(3,4)29(38)39;1-30(2,20-32)14-7-5-10-21-16-25(33)18-23(27(21)35)12-9-13-24-19-26(34)17-22(28(24)36)11-6-8-15-31(3,4)29(37)38;1-30(2,28(34)35)20-7-5-12-22-14-9-16-24(26(22)32)18-11-19-25-17-10-15-23(27(25)33)13-6-8-21-31(3,4)29(36)37;1-30(2,20-32)14-7-5-10-22-16-26(34)18-24(28(22)36)12-9-13-25-19-27(35)17-23(29(25)37)11-6-8-15-31(3,4)21-33/h20-23,28-29,36-37H,9-19H2,1-8H3,(H,38,39)(H,40,41);20-23,29-30,36-38H,9-19,24H2,1-8H3,(H,39,40);20-23,30-31,36-39H,9-19,24-25H2,1-8H3;16-19,24-27,32-35H,5-15H2,1-4H3,(H,36,37)(H,38,39);16-19,25-28,32-36H,5-15,20H2,1-4H3,(H,37,38);22-27,32-33H,5-21H2,1-4H3,(H,34,35)(H,36,37);16-19,26-29,32-37H,5-15,20-21H2,1-4H3.

What are the key properties of 6-[5-[3-[5-(5-carboxy-5-methylhexyl)-3,6-dihydroxycyclohexa-1,4-dien-1-yl]propyl]-3,6-dihydroxycyclohexa-1,4-dien-1-yl]-2,2-dimethylhexanoic acid;6-[3-[3-[3-(5-carboxy-5-methylhexyl)-2-hydroxycyclohexyl]propyl]-2-hydroxycyclohexyl]-2,2-dimethylhexanoic acid;6-[5-[3-[5-(5-carboxy-5-methylhexyl)-6-hydroxy-3,3-dimethylcyclohexa-1,4-dien-1-yl]propyl]-6-hydroxy-3,3-dimethylcyclohexa-1,4-dien-1-yl]-2,2-dimethylhexanoic acid;6-[5-[3-[3,6-dihydroxy-5-(6-hydroxy-5,5-dimethylhexyl)cyclohexa-1,4-dien-1-yl]propyl]-3,6-dihydroxycyclohexa-1,4-dien-1-yl]-2,2-dimethylhexanoic acid;2-[3-[3,6-dihydroxy-5-(6-hydroxy-5,5-dimethylhexyl)cyclohexa-1,4-dien-1-yl]propyl]-6-(6-hydroxy-5,5-dimethylhexyl)cyclohexa-2,5-diene-1,4-diol;2-(6-hydroxy-5,5-dimethylhexyl)-6-[3-[6-hydroxy-5-(6-hydroxy-5,5-dimethylhexyl)-3,3-dimethylcyclohexa-1,4-dien-1-yl]propyl]-4,4-dimethylcyclohexa-2,5-dien-1-ol;6-[6-hydroxy-5-[3-[6-hydroxy-5-(6-hydroxy-5,5-dimethylhexyl)-3,3-dimethylcyclohexa-1,4-dien-1-yl]propyl]-3,3-dimethylcyclohexa-1,4-dien-1-yl]-2,2-dimethylhexanoic acid?

6-[5-[3-[5-(5-carboxy-5-methylhexyl)-3,6-dihydroxycyclohexa-1,4-dien-1-yl]propyl]-3,6-dihydroxycyclohexa-1,4-dien-1-yl]-2,2-dimethylhexanoic acid;6-[3-[3-[3-(5-carboxy-5-methylhexyl)-2-hydroxycyclohexyl]propyl]-2-hydroxycyclohexyl]-2,2-dimethylhexanoic acid;6-[5-[3-[5-(5-carboxy-5-methylhexyl)-6-hydroxy-3,3-dimethylcyclohexa-1,4-dien-1-yl]propyl]-6-hydroxy-3,3-dimethylcyclohexa-1,4-dien-1-yl]-2,2-dimethylhexanoic acid;6-[5-[3-[3,6-dihydroxy-5-(6-hydroxy-5,5-dimethylhexyl)cyclohexa-1,4-dien-1-yl]propyl]-3,6-dihydroxycyclohexa-1,4-dien-1-yl]-2,2-dimethylhexanoic acid;2-[3-[3,6-dihydroxy-5-(6-hydroxy-5,5-dimethylhexyl)cyclohexa-1,4-dien-1-yl]propyl]-6-(6-hydroxy-5,5-dimethylhexyl)cyclohexa-2,5-diene-1,4-diol;2-(6-hydroxy-5,5-dimethylhexyl)-6-[3-[6-hydroxy-5-(6-hydroxy-5,5-dimethylhexyl)-3,3-dimethylcyclohexa-1,4-dien-1-yl]propyl]-4,4-dimethylcyclohexa-2,5-dien-1-ol;6-[6-hydroxy-5-[3-[6-hydroxy-5-(6-hydroxy-5,5-dimethylhexyl)-3,3-dimethylcyclohexa-1,4-dien-1-yl]propyl]-3,3-dimethylcyclohexa-1,4-dien-1-yl]-2,2-dimethylhexanoic acid has a molecular weight of 3805.52 g/mol, XLogP of 44.54, 112 rotatable bonds, 34 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[5-[3-[5-(5-carboxy-5-methylhexyl)-3,6-dihydroxycyclohexa-1,4-dien-1-yl]propyl]-3,6-dihydroxycyclohexa-1,4-dien-1-yl]-2,2-dimethylhexanoic acid;6-[3-[3-[3-(5-carboxy-5-methylhexyl)-2-hydroxycyclohexyl]propyl]-2-hydroxycyclohexyl]-2,2-dimethylhexanoic acid;6-[5-[3-[5-(5-carboxy-5-methylhexyl)-6-hydroxy-3,3-dimethylcyclohexa-1,4-dien-1-yl]propyl]-6-hydroxy-3,3-dimethylcyclohexa-1,4-dien-1-yl]-2,2-dimethylhexanoic acid;6-[5-[3-[3,6-dihydroxy-5-(6-hydroxy-5,5-dimethylhexyl)cyclohexa-1,4-dien-1-yl]propyl]-3,6-dihydroxycyclohexa-1,4-dien-1-yl]-2,2-dimethylhexanoic acid;2-[3-[3,6-dihydroxy-5-(6-hydroxy-5,5-dimethylhexyl)cyclohexa-1,4-dien-1-yl]propyl]-6-(6-hydroxy-5,5-dimethylhexyl)cyclohexa-2,5-diene-1,4-diol;2-(6-hydroxy-5,5-dimethylhexyl)-6-[3-[6-hydroxy-5-(6-hydroxy-5,5-dimethylhexyl)-3,3-dimethylcyclohexa-1,4-dien-1-yl]propyl]-4,4-dimethylcyclohexa-2,5-dien-1-ol;6-[6-hydroxy-5-[3-[6-hydroxy-5-(6-hydroxy-5,5-dimethylhexyl)-3,3-dimethylcyclohexa-1,4-dien-1-yl]propyl]-3,3-dimethylcyclohexa-1,4-dien-1-yl]-2,2-dimethylhexanoic acid is sourced from PubChem (CID 157281566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).