3-tert-butyl-2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-pentylphenol;3-tert-butyl-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenol;1,3-ditert-butyl-2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-pentylbenzene;1,3-ditert-butyl-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylbenzene;2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-pentylbenzene-1,3-diol;2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylbenzene-1,3-diol

C150H234O6 — CID 167668778

About 3-tert-butyl-2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-pentylphenol;3-tert-butyl-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenol;1,3-ditert-butyl-2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-pentylbenzene;1,3-ditert-butyl-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylbenzene;2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-pentylbenzene-1,3-diol;2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylbenzene-1,3-diol

3-tert-butyl-2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-pentylphenol;3-tert-butyl-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenol;1,3-ditert-butyl-2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-pentylbenzene;1,3-ditert-butyl-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylbenzene;2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-pentylbenzene-1,3-diol;2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylbenzene-1,3-diol (PubChem CID 167668778) has the molecular formula C150H234O6 and a molecular weight of 2133.52 g/mol. Its IUPAC name is 3-tert-butyl-2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-pentylphenol;3-tert-butyl-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenol;1,3-ditert-butyl-2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-pentylbenzene;1,3-ditert-butyl-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylbenzene;2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-pentylbenzene-1,3-diol;2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylbenzene-1,3-diol.

Molecular Properties

• Compound Name: 3-tert-butyl-2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-pentylphenol;3-tert-butyl-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenol;1,3-ditert-butyl-2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-pentylbenzene;1,3-ditert-butyl-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylbenzene;2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-pentylbenzene-1,3-diol;2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylbenzene-1,3-diol
• PubChem CID: 167668778
• Molecular Formula: C150H234O6
• Molecular Weight: 2133.52 g/mol
• Exact Mass: 2131.80
• IUPAC Name: 3-tert-butyl-2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-pentylphenol;3-tert-butyl-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenol;1,3-ditert-butyl-2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-pentylbenzene;1,3-ditert-butyl-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylbenzene;2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-pentylbenzene-1,3-diol;2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylbenzene-1,3-diol
• SMILES: C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(C(C)(C)C)cc(CCCCC)cc1C(C)(C)C.C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(O)cc(CCCCC)cc1C(C)(C)C.C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(O)cc(CCCCC)cc1O.CCCCCc1cc(C(C)(C)C)c(C/C=C(\C)CCC=C(C)C)c(C(C)(C)C)c1.CCCCCc1cc(O)c(C/C=C(\C)CCC=C(C)C)c(C(C)(C)C)c1.CCCCCc1cc(O)c(C/C=C(\C)CCC=C(C)C)c(O)c1
• InChI: InChI=1S/C29H46.C29H48.C25H38O.C25H40O.C21H30O2.C21H32O2/c1-11-12-13-14-22-18-25(28(5,6)7)27(26(19-22)29(8,9)10)24-17-21(4)15-16-23(24)20(2)3;1-11-12-13-17-24-20-26(28(5,6)7)25(27(21-24)29(8,9)10)19-18-23(4)16-14-15-22(2)3;1-8-9-10-11-19-15-22(25(5,6)7)24(23(26)16-19)21-14-18(4)12-13-20(21)17(2)3;1-8-9-10-14-21-17-23(25(5,6)7)22(24(26)18-21)16-15-20(4)13-11-12-19(2)3;1-5-6-7-8-16-12-19(22)21(20(23)13-16)18-11-15(4)9-10-17(18)14(2)3;1-5-6-7-11-18-14-20(22)19(21(23)15-18)13-12-17(4)10-8-9-16(2)3/h17-19,23-24H,2,11-16H2,1,3-10H3;15,18,20-21H,11-14,16-17,19H2,1-10H3;14-16,20-21,26H,2,8-13H2,1,3-7H3;12,15,17-18,26H,8-11,13-14,16H2,1-7H3;11-13,17-18,22-23H,2,5-10H2,1,3-4H3;9,12,14-15,22-23H,5-8,10-11,13H2,1-4H3/b;23-18+;;20-15+;;17-12+/t23-,24+;;20-,21+;;17-,18+;/m0.0.0./s1
• InChIKey: TUFOISMMMNKHOI-BFDRZGRHSA-N
• XLogP: 45.29
• TPSA: 121.38 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 6
• Rotatable Bonds: 45
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2133.52
LogP ≤ 5	45.29
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	6

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 3-tert-butyl-2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-pentylphenol;3-tert-butyl-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenol;1,3-ditert-butyl-2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-pentylbenzene;1,3-ditert-butyl-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylbenzene;2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-pentylbenzene-1,3-diol;2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylbenzene-1,3-diol?

The IUPAC name of 3-tert-butyl-2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-pentylphenol;3-tert-butyl-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenol;1,3-ditert-butyl-2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-pentylbenzene;1,3-ditert-butyl-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylbenzene;2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-pentylbenzene-1,3-diol;2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylbenzene-1,3-diol (CID 167668778) is 3-tert-butyl-2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-pentylphenol;3-tert-butyl-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenol;1,3-ditert-butyl-2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-pentylbenzene;1,3-ditert-butyl-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylbenzene;2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-pentylbenzene-1,3-diol;2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylbenzene-1,3-diol.

What is the SMILES notation for 3-tert-butyl-2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-pentylphenol;3-tert-butyl-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenol;1,3-ditert-butyl-2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-pentylbenzene;1,3-ditert-butyl-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylbenzene;2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-pentylbenzene-1,3-diol;2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylbenzene-1,3-diol?

The canonical SMILES for 3-tert-butyl-2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-pentylphenol;3-tert-butyl-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenol;1,3-ditert-butyl-2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-pentylbenzene;1,3-ditert-butyl-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylbenzene;2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-pentylbenzene-1,3-diol;2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylbenzene-1,3-diol is C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(C(C)(C)C)cc(CCCCC)cc1C(C)(C)C.C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(O)cc(CCCCC)cc1C(C)(C)C.C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(O)cc(CCCCC)cc1O.CCCCCc1cc(C(C)(C)C)c(C/C=C(\C)CCC=C(C)C)c(C(C)(C)C)c1.CCCCCc1cc(O)c(C/C=C(\C)CCC=C(C)C)c(C(C)(C)C)c1.CCCCCc1cc(O)c(C/C=C(\C)CCC=C(C)C)c(O)c1.

What is the InChIKey of 3-tert-butyl-2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-pentylphenol;3-tert-butyl-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenol;1,3-ditert-butyl-2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-pentylbenzene;1,3-ditert-butyl-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylbenzene;2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-pentylbenzene-1,3-diol;2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylbenzene-1,3-diol?

The InChIKey is TUFOISMMMNKHOI-BFDRZGRHSA-N. The full InChI is InChI=1S/C29H46.C29H48.C25H38O.C25H40O.C21H30O2.C21H32O2/c1-11-12-13-14-22-18-25(28(5,6)7)27(26(19-22)29(8,9)10)24-17-21(4)15-16-23(24)20(2)3;1-11-12-13-17-24-20-26(28(5,6)7)25(27(21-24)29(8,9)10)19-18-23(4)16-14-15-22(2)3;1-8-9-10-11-19-15-22(25(5,6)7)24(23(26)16-19)21-14-18(4)12-13-20(21)17(2)3;1-8-9-10-14-21-17-23(25(5,6)7)22(24(26)18-21)16-15-20(4)13-11-12-19(2)3;1-5-6-7-8-16-12-19(22)21(20(23)13-16)18-11-15(4)9-10-17(18)14(2)3;1-5-6-7-11-18-14-20(22)19(21(23)15-18)13-12-17(4)10-8-9-16(2)3/h17-19,23-24H,2,11-16H2,1,3-10H3;15,18,20-21H,11-14,16-17,19H2,1-10H3;14-16,20-21,26H,2,8-13H2,1,3-7H3;12,15,17-18,26H,8-11,13-14,16H2,1-7H3;11-13,17-18,22-23H,2,5-10H2,1,3-4H3;9,12,14-15,22-23H,5-8,10-11,13H2,1-4H3/b;23-18+;;20-15+;;17-12+/t23-,24+;;20-,21+;;17-,18+;/m0.0.0./s1.

What are the key properties of 3-tert-butyl-2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-pentylphenol;3-tert-butyl-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenol;1,3-ditert-butyl-2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-pentylbenzene;1,3-ditert-butyl-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylbenzene;2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-pentylbenzene-1,3-diol;2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylbenzene-1,3-diol?

3-tert-butyl-2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-pentylphenol;3-tert-butyl-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenol;1,3-ditert-butyl-2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-pentylbenzene;1,3-ditert-butyl-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylbenzene;2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-pentylbenzene-1,3-diol;2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylbenzene-1,3-diol has a molecular weight of 2133.52 g/mol, XLogP of 45.29, 45 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-tert-butyl-2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-pentylphenol;3-tert-butyl-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenol;1,3-ditert-butyl-2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-pentylbenzene;1,3-ditert-butyl-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylbenzene;2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-pentylbenzene-1,3-diol;2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylbenzene-1,3-diol is sourced from PubChem (CID 167668778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).