2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-pentylbenzene-1,3-diol;2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-propylbenzene-1,3-diol;methane;6,6,9-trimethyl-3-pentylbenzo[c]chromen-1-ol;(1R,9R,12S,14R)-9,13,13-trimethyl-5-pentyl-8-oxatetracyclo[7.4.1.02,7.012,14]tetradeca-2,4,6-trien-3-ol;6,6,9-trimethyl-3-propylbenzo[c]chromen-1-ol

C106H158O10 — CID 159047431

About 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-pentylbenzene-1,3-diol;2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-propylbenzene-1,3-diol;methane;6,6,9-trimethyl-3-pentylbenzo[c]chromen-1-ol;(1R,9R,12S,14R)-9,13,13-trimethyl-5-pentyl-8-oxatetracyclo[7.4.1.02,7.012,14]tetradeca-2,4,6-trien-3-ol;6,6,9-trimethyl-3-propylbenzo[c]chromen-1-ol

2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-pentylbenzene-1,3-diol;2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-propylbenzene-1,3-diol;methane;6,6,9-trimethyl-3-pentylbenzo[c]chromen-1-ol;(1R,9R,12S,14R)-9,13,13-trimethyl-5-pentyl-8-oxatetracyclo[7.4.1.02,7.012,14]tetradeca-2,4,6-trien-3-ol;6,6,9-trimethyl-3-propylbenzo[c]chromen-1-ol (PubChem CID 159047431) has the molecular formula C106H158O10 and a molecular weight of 1592.42 g/mol. Its IUPAC name is 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-pentylbenzene-1,3-diol;2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-propylbenzene-1,3-diol;methane;6,6,9-trimethyl-3-pentylbenzo[c]chromen-1-ol;(1R,9R,12S,14R)-9,13,13-trimethyl-5-pentyl-8-oxatetracyclo[7.4.1.02,7.012,14]tetradeca-2,4,6-trien-3-ol;6,6,9-trimethyl-3-propylbenzo[c]chromen-1-ol.

Molecular Properties

• Compound Name: 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-pentylbenzene-1,3-diol;2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-propylbenzene-1,3-diol;methane;6,6,9-trimethyl-3-pentylbenzo[c]chromen-1-ol;(1R,9R,12S,14R)-9,13,13-trimethyl-5-pentyl-8-oxatetracyclo[7.4.1.02,7.012,14]tetradeca-2,4,6-trien-3-ol;6,6,9-trimethyl-3-propylbenzo[c]chromen-1-ol
• PubChem CID: 159047431
• Molecular Formula: C106H158O10
• Molecular Weight: 1592.42 g/mol
• Exact Mass: 1591.19
• IUPAC Name: 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-pentylbenzene-1,3-diol;2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-propylbenzene-1,3-diol;methane;6,6,9-trimethyl-3-pentylbenzo[c]chromen-1-ol;(1R,9R,12S,14R)-9,13,13-trimethyl-5-pentyl-8-oxatetracyclo[7.4.1.02,7.012,14]tetradeca-2,4,6-trien-3-ol;6,6,9-trimethyl-3-propylbenzo[c]chromen-1-ol
• SMILES: C.C.C.C.C.CCCCCc1cc(O)c(C/C=C(\C)CCC=C(C)C)c(O)c1.CCCCCc1cc(O)c2c(c1)OC(C)(C)c1ccc(C)cc1-2.CCCCCc1cc(O)c2c(c1)O[C@]1(C)CC[C@H]3[C@@H]1[C@@H]2C3(C)C.CCCc1cc(O)c(C/C=C(\C)CCC=C(C)C)c(O)c1.CCCc1cc(O)c2c(c1)OC(C)(C)c1ccc(C)cc1-2
• InChI: InChI=1S/C21H30O2.C21H26O2.C21H32O2.C19H22O2.C19H28O2.5CH4/c1-5-6-7-8-13-11-15(22)17-16(12-13)23-21(4)10-9-14-18(21)19(17)20(14,2)3;1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15;1-5-6-7-11-18-14-20(22)19(21(23)15-18)13-12-17(4)10-8-9-16(2)3;1-5-6-13-10-16(20)18-14-9-12(2)7-8-15(14)19(3,4)21-17(18)11-13;1-5-7-16-12-18(20)17(19(21)13-16)11-10-15(4)9-6-8-14(2)3;;;;;/h11-12,14,18-19,22H,5-10H2,1-4H3;9-13,22H,5-8H2,1-4H3;9,12,14-15,22-23H,5-8,10-11,13H2,1-4H3;7-11,20H,5-6H2,1-4H3;8,10,12-13,20-21H,5-7,9,11H2,1-4H3;5*1H4/b;;17-12+;;15-10+;;;;;/t14-,18+,19+,21+;;;;;;;;;/m0........./s1
• InChIKey: JWVHRMYVTKGVGE-QTVRCRJZSA-N
• XLogP: 30.63
• TPSA: 169.30 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 10
• Rotatable Bonds: 26
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1592.42
LogP ≤ 5	30.63
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	10

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 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-pentylbenzene-1,3-diol;2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-propylbenzene-1,3-diol;methane;6,6,9-trimethyl-3-pentylbenzo[c]chromen-1-ol;(1R,9R,12S,14R)-9,13,13-trimethyl-5-pentyl-8-oxatetracyclo[7.4.1.02,7.012,14]tetradeca-2,4,6-trien-3-ol;6,6,9-trimethyl-3-propylbenzo[c]chromen-1-ol?

The IUPAC name of 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-pentylbenzene-1,3-diol;2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-propylbenzene-1,3-diol;methane;6,6,9-trimethyl-3-pentylbenzo[c]chromen-1-ol;(1R,9R,12S,14R)-9,13,13-trimethyl-5-pentyl-8-oxatetracyclo[7.4.1.02,7.012,14]tetradeca-2,4,6-trien-3-ol;6,6,9-trimethyl-3-propylbenzo[c]chromen-1-ol (CID 159047431) is 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-pentylbenzene-1,3-diol;2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-propylbenzene-1,3-diol;methane;6,6,9-trimethyl-3-pentylbenzo[c]chromen-1-ol;(1R,9R,12S,14R)-9,13,13-trimethyl-5-pentyl-8-oxatetracyclo[7.4.1.02,7.012,14]tetradeca-2,4,6-trien-3-ol;6,6,9-trimethyl-3-propylbenzo[c]chromen-1-ol.

What is the SMILES notation for 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-pentylbenzene-1,3-diol;2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-propylbenzene-1,3-diol;methane;6,6,9-trimethyl-3-pentylbenzo[c]chromen-1-ol;(1R,9R,12S,14R)-9,13,13-trimethyl-5-pentyl-8-oxatetracyclo[7.4.1.02,7.012,14]tetradeca-2,4,6-trien-3-ol;6,6,9-trimethyl-3-propylbenzo[c]chromen-1-ol?

The canonical SMILES for 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-pentylbenzene-1,3-diol;2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-propylbenzene-1,3-diol;methane;6,6,9-trimethyl-3-pentylbenzo[c]chromen-1-ol;(1R,9R,12S,14R)-9,13,13-trimethyl-5-pentyl-8-oxatetracyclo[7.4.1.02,7.012,14]tetradeca-2,4,6-trien-3-ol;6,6,9-trimethyl-3-propylbenzo[c]chromen-1-ol is C.C.C.C.C.CCCCCc1cc(O)c(C/C=C(\C)CCC=C(C)C)c(O)c1.CCCCCc1cc(O)c2c(c1)OC(C)(C)c1ccc(C)cc1-2.CCCCCc1cc(O)c2c(c1)O[C@]1(C)CC[C@H]3[C@@H]1[C@@H]2C3(C)C.CCCc1cc(O)c(C/C=C(\C)CCC=C(C)C)c(O)c1.CCCc1cc(O)c2c(c1)OC(C)(C)c1ccc(C)cc1-2.

What is the InChIKey of 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-pentylbenzene-1,3-diol;2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-propylbenzene-1,3-diol;methane;6,6,9-trimethyl-3-pentylbenzo[c]chromen-1-ol;(1R,9R,12S,14R)-9,13,13-trimethyl-5-pentyl-8-oxatetracyclo[7.4.1.02,7.012,14]tetradeca-2,4,6-trien-3-ol;6,6,9-trimethyl-3-propylbenzo[c]chromen-1-ol?

The InChIKey is JWVHRMYVTKGVGE-QTVRCRJZSA-N. The full InChI is InChI=1S/C21H30O2.C21H26O2.C21H32O2.C19H22O2.C19H28O2.5CH4/c1-5-6-7-8-13-11-15(22)17-16(12-13)23-21(4)10-9-14-18(21)19(17)20(14,2)3;1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15;1-5-6-7-11-18-14-20(22)19(21(23)15-18)13-12-17(4)10-8-9-16(2)3;1-5-6-13-10-16(20)18-14-9-12(2)7-8-15(14)19(3,4)21-17(18)11-13;1-5-7-16-12-18(20)17(19(21)13-16)11-10-15(4)9-6-8-14(2)3;;;;;/h11-12,14,18-19,22H,5-10H2,1-4H3;9-13,22H,5-8H2,1-4H3;9,12,14-15,22-23H,5-8,10-11,13H2,1-4H3;7-11,20H,5-6H2,1-4H3;8,10,12-13,20-21H,5-7,9,11H2,1-4H3;5*1H4/b;;17-12+;;15-10+;;;;;/t14-,18+,19+,21+;;;;;;;;;/m0........./s1.

What are the key properties of 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-pentylbenzene-1,3-diol;2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-propylbenzene-1,3-diol;methane;6,6,9-trimethyl-3-pentylbenzo[c]chromen-1-ol;(1R,9R,12S,14R)-9,13,13-trimethyl-5-pentyl-8-oxatetracyclo[7.4.1.02,7.012,14]tetradeca-2,4,6-trien-3-ol;6,6,9-trimethyl-3-propylbenzo[c]chromen-1-ol?

2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-pentylbenzene-1,3-diol;2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-propylbenzene-1,3-diol;methane;6,6,9-trimethyl-3-pentylbenzo[c]chromen-1-ol;(1R,9R,12S,14R)-9,13,13-trimethyl-5-pentyl-8-oxatetracyclo[7.4.1.02,7.012,14]tetradeca-2,4,6-trien-3-ol;6,6,9-trimethyl-3-propylbenzo[c]chromen-1-ol has a molecular weight of 1592.42 g/mol, XLogP of 30.63, 26 rotatable bonds, 7 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-pentylbenzene-1,3-diol;2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-propylbenzene-1,3-diol;methane;6,6,9-trimethyl-3-pentylbenzo[c]chromen-1-ol;(1R,9R,12S,14R)-9,13,13-trimethyl-5-pentyl-8-oxatetracyclo[7.4.1.02,7.012,14]tetradeca-2,4,6-trien-3-ol;6,6,9-trimethyl-3-propylbenzo[c]chromen-1-ol is sourced from PubChem (CID 159047431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).