6-methyl-3-pentyl-9-propan-2-yldibenzofuran-1-ol;6-methyl-3-pentyl-9-prop-1-en-2-yldibenzofuran-1-ol;(1R,9R,12R)-9-methyl-5-pentyl-12-prop-1-en-2-yl-8-oxatricyclo[7.3.1.02,7]trideca-2,4,6-trien-3-ol;(1R,9R,12S)-9-methyl-12-prop-1-en-2-yl-5-propyl-8-oxatricyclo[7.3.1.02,7]trideca-2,4,6-trien-3-ol;(1R,9R,12R)-9-methyl-12-prop-1-en-2-yl-5-propyl-8-oxatricyclo[7.3.1.02,7]trideca-2,4,6-trien-3-ol;(1S,9S,12R)-9-methyl-12-prop-1-en-2-yl-5-propyl-8-oxatricyclo[7.3.1.02,7]trideca-2,4,6-trien-3-ol

C120H158O12 — CID 161251391

About 6-methyl-3-pentyl-9-propan-2-yldibenzofuran-1-ol;6-methyl-3-pentyl-9-prop-1-en-2-yldibenzofuran-1-ol;(1R,9R,12R)-9-methyl-5-pentyl-12-prop-1-en-2-yl-8-oxatricyclo[7.3.1.02,7]trideca-2,4,6-trien-3-ol;(1R,9R,12S)-9-methyl-12-prop-1-en-2-yl-5-propyl-8-oxatricyclo[7.3.1.02,7]trideca-2,4,6-trien-3-ol;(1R,9R,12R)-9-methyl-12-prop-1-en-2-yl-5-propyl-8-oxatricyclo[7.3.1.02,7]trideca-2,4,6-trien-3-ol;(1S,9S,12R)-9-methyl-12-prop-1-en-2-yl-5-propyl-8-oxatricyclo[7.3.1.02,7]trideca-2,4,6-trien-3-ol

6-methyl-3-pentyl-9-propan-2-yldibenzofuran-1-ol;6-methyl-3-pentyl-9-prop-1-en-2-yldibenzofuran-1-ol;(1R,9R,12R)-9-methyl-5-pentyl-12-prop-1-en-2-yl-8-oxatricyclo[7.3.1.02,7]trideca-2,4,6-trien-3-ol;(1R,9R,12S)-9-methyl-12-prop-1-en-2-yl-5-propyl-8-oxatricyclo[7.3.1.02,7]trideca-2,4,6-trien-3-ol;(1R,9R,12R)-9-methyl-12-prop-1-en-2-yl-5-propyl-8-oxatricyclo[7.3.1.02,7]trideca-2,4,6-trien-3-ol;(1S,9S,12R)-9-methyl-12-prop-1-en-2-yl-5-propyl-8-oxatricyclo[7.3.1.02,7]trideca-2,4,6-trien-3-ol (PubChem CID 161251391) has the molecular formula C120H158O12 and a molecular weight of 1792.57 g/mol. Its IUPAC name is 6-methyl-3-pentyl-9-propan-2-yldibenzofuran-1-ol;6-methyl-3-pentyl-9-prop-1-en-2-yldibenzofuran-1-ol;(1R,9R,12R)-9-methyl-5-pentyl-12-prop-1-en-2-yl-8-oxatricyclo[7.3.1.02,7]trideca-2,4,6-trien-3-ol;(1R,9R,12S)-9-methyl-12-prop-1-en-2-yl-5-propyl-8-oxatricyclo[7.3.1.02,7]trideca-2,4,6-trien-3-ol;(1R,9R,12R)-9-methyl-12-prop-1-en-2-yl-5-propyl-8-oxatricyclo[7.3.1.02,7]trideca-2,4,6-trien-3-ol;(1S,9S,12R)-9-methyl-12-prop-1-en-2-yl-5-propyl-8-oxatricyclo[7.3.1.02,7]trideca-2,4,6-trien-3-ol.

Molecular Properties

• Compound Name: 6-methyl-3-pentyl-9-propan-2-yldibenzofuran-1-ol;6-methyl-3-pentyl-9-prop-1-en-2-yldibenzofuran-1-ol;(1R,9R,12R)-9-methyl-5-pentyl-12-prop-1-en-2-yl-8-oxatricyclo[7.3.1.02,7]trideca-2,4,6-trien-3-ol;(1R,9R,12S)-9-methyl-12-prop-1-en-2-yl-5-propyl-8-oxatricyclo[7.3.1.02,7]trideca-2,4,6-trien-3-ol;(1R,9R,12R)-9-methyl-12-prop-1-en-2-yl-5-propyl-8-oxatricyclo[7.3.1.02,7]trideca-2,4,6-trien-3-ol;(1S,9S,12R)-9-methyl-12-prop-1-en-2-yl-5-propyl-8-oxatricyclo[7.3.1.02,7]trideca-2,4,6-trien-3-ol
• PubChem CID: 161251391
• Molecular Formula: C120H158O12
• Molecular Weight: 1792.57 g/mol
• Exact Mass: 1791.18
• IUPAC Name: 6-methyl-3-pentyl-9-propan-2-yldibenzofuran-1-ol;6-methyl-3-pentyl-9-prop-1-en-2-yldibenzofuran-1-ol;(1R,9R,12R)-9-methyl-5-pentyl-12-prop-1-en-2-yl-8-oxatricyclo[7.3.1.02,7]trideca-2,4,6-trien-3-ol;(1R,9R,12S)-9-methyl-12-prop-1-en-2-yl-5-propyl-8-oxatricyclo[7.3.1.02,7]trideca-2,4,6-trien-3-ol;(1R,9R,12R)-9-methyl-12-prop-1-en-2-yl-5-propyl-8-oxatricyclo[7.3.1.02,7]trideca-2,4,6-trien-3-ol;(1S,9S,12R)-9-methyl-12-prop-1-en-2-yl-5-propyl-8-oxatricyclo[7.3.1.02,7]trideca-2,4,6-trien-3-ol
• SMILES: C=C(C)[C@@H]1CC[C@@]2(C)C[C@@H]1c1c(O)cc(CCC)cc1O2.C=C(C)[C@@H]1CC[C@]2(C)C[C@H]1c1c(O)cc(CCC)cc1O2.C=C(C)[C@@H]1CC[C@]2(C)C[C@H]1c1c(O)cc(CCCCC)cc1O2.C=C(C)[C@H]1CC[C@]2(C)C[C@H]1c1c(O)cc(CCC)cc1O2.C=C(C)c1ccc(C)c2oc3cc(CCCCC)cc(O)c3c12.CCCCCc1cc(O)c2c(c1)oc1c(C)ccc(C(C)C)c12
• InChI: InChI=1S/C21H30O2.C21H26O2.C21H24O2.3C19H26O2/c1-5-6-7-8-15-11-18(22)20-17-13-21(4,23-19(20)12-15)10-9-16(17)14(2)3;2*1-5-6-7-8-15-11-17(22)20-18(12-15)23-21-14(4)9-10-16(13(2)3)19(20)21;3*1-5-6-13-9-16(20)18-15-11-19(4,21-17(18)10-13)8-7-14(15)12(2)3/h11-12,16-17,22H,2,5-10,13H2,1,3-4H3;9-13,22H,5-8H2,1-4H3;9-12,22H,2,5-8H2,1,3-4H3;3*9-10,14-15,20H,2,5-8,11H2,1,3-4H3/t16-,17+,21+;;;14-,15+,19+;2*14-,15-,19-/m0..010/s1
• InChIKey: VBHYYNIEGASEFY-ZWHWJSLQSA-N
• XLogP: 33.42
• TPSA: 184.58 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 12
• Rotatable Bonds: 24
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1792.57
LogP ≤ 5	33.42
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	12

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-methyl-3-pentyl-9-propan-2-yldibenzofuran-1-ol;6-methyl-3-pentyl-9-prop-1-en-2-yldibenzofuran-1-ol;(1R,9R,12R)-9-methyl-5-pentyl-12-prop-1-en-2-yl-8-oxatricyclo[7.3.1.02,7]trideca-2,4,6-trien-3-ol;(1R,9R,12S)-9-methyl-12-prop-1-en-2-yl-5-propyl-8-oxatricyclo[7.3.1.02,7]trideca-2,4,6-trien-3-ol;(1R,9R,12R)-9-methyl-12-prop-1-en-2-yl-5-propyl-8-oxatricyclo[7.3.1.02,7]trideca-2,4,6-trien-3-ol;(1S,9S,12R)-9-methyl-12-prop-1-en-2-yl-5-propyl-8-oxatricyclo[7.3.1.02,7]trideca-2,4,6-trien-3-ol?

The IUPAC name of 6-methyl-3-pentyl-9-propan-2-yldibenzofuran-1-ol;6-methyl-3-pentyl-9-prop-1-en-2-yldibenzofuran-1-ol;(1R,9R,12R)-9-methyl-5-pentyl-12-prop-1-en-2-yl-8-oxatricyclo[7.3.1.02,7]trideca-2,4,6-trien-3-ol;(1R,9R,12S)-9-methyl-12-prop-1-en-2-yl-5-propyl-8-oxatricyclo[7.3.1.02,7]trideca-2,4,6-trien-3-ol;(1R,9R,12R)-9-methyl-12-prop-1-en-2-yl-5-propyl-8-oxatricyclo[7.3.1.02,7]trideca-2,4,6-trien-3-ol;(1S,9S,12R)-9-methyl-12-prop-1-en-2-yl-5-propyl-8-oxatricyclo[7.3.1.02,7]trideca-2,4,6-trien-3-ol (CID 161251391) is 6-methyl-3-pentyl-9-propan-2-yldibenzofuran-1-ol;6-methyl-3-pentyl-9-prop-1-en-2-yldibenzofuran-1-ol;(1R,9R,12R)-9-methyl-5-pentyl-12-prop-1-en-2-yl-8-oxatricyclo[7.3.1.02,7]trideca-2,4,6-trien-3-ol;(1R,9R,12S)-9-methyl-12-prop-1-en-2-yl-5-propyl-8-oxatricyclo[7.3.1.02,7]trideca-2,4,6-trien-3-ol;(1R,9R,12R)-9-methyl-12-prop-1-en-2-yl-5-propyl-8-oxatricyclo[7.3.1.02,7]trideca-2,4,6-trien-3-ol;(1S,9S,12R)-9-methyl-12-prop-1-en-2-yl-5-propyl-8-oxatricyclo[7.3.1.02,7]trideca-2,4,6-trien-3-ol.

What is the SMILES notation for 6-methyl-3-pentyl-9-propan-2-yldibenzofuran-1-ol;6-methyl-3-pentyl-9-prop-1-en-2-yldibenzofuran-1-ol;(1R,9R,12R)-9-methyl-5-pentyl-12-prop-1-en-2-yl-8-oxatricyclo[7.3.1.02,7]trideca-2,4,6-trien-3-ol;(1R,9R,12S)-9-methyl-12-prop-1-en-2-yl-5-propyl-8-oxatricyclo[7.3.1.02,7]trideca-2,4,6-trien-3-ol;(1R,9R,12R)-9-methyl-12-prop-1-en-2-yl-5-propyl-8-oxatricyclo[7.3.1.02,7]trideca-2,4,6-trien-3-ol;(1S,9S,12R)-9-methyl-12-prop-1-en-2-yl-5-propyl-8-oxatricyclo[7.3.1.02,7]trideca-2,4,6-trien-3-ol?

The canonical SMILES for 6-methyl-3-pentyl-9-propan-2-yldibenzofuran-1-ol;6-methyl-3-pentyl-9-prop-1-en-2-yldibenzofuran-1-ol;(1R,9R,12R)-9-methyl-5-pentyl-12-prop-1-en-2-yl-8-oxatricyclo[7.3.1.02,7]trideca-2,4,6-trien-3-ol;(1R,9R,12S)-9-methyl-12-prop-1-en-2-yl-5-propyl-8-oxatricyclo[7.3.1.02,7]trideca-2,4,6-trien-3-ol;(1R,9R,12R)-9-methyl-12-prop-1-en-2-yl-5-propyl-8-oxatricyclo[7.3.1.02,7]trideca-2,4,6-trien-3-ol;(1S,9S,12R)-9-methyl-12-prop-1-en-2-yl-5-propyl-8-oxatricyclo[7.3.1.02,7]trideca-2,4,6-trien-3-ol is C=C(C)[C@@H]1CC[C@@]2(C)C[C@@H]1c1c(O)cc(CCC)cc1O2.C=C(C)[C@@H]1CC[C@]2(C)C[C@H]1c1c(O)cc(CCC)cc1O2.C=C(C)[C@@H]1CC[C@]2(C)C[C@H]1c1c(O)cc(CCCCC)cc1O2.C=C(C)[C@H]1CC[C@]2(C)C[C@H]1c1c(O)cc(CCC)cc1O2.C=C(C)c1ccc(C)c2oc3cc(CCCCC)cc(O)c3c12.CCCCCc1cc(O)c2c(c1)oc1c(C)ccc(C(C)C)c12.

What is the InChIKey of 6-methyl-3-pentyl-9-propan-2-yldibenzofuran-1-ol;6-methyl-3-pentyl-9-prop-1-en-2-yldibenzofuran-1-ol;(1R,9R,12R)-9-methyl-5-pentyl-12-prop-1-en-2-yl-8-oxatricyclo[7.3.1.02,7]trideca-2,4,6-trien-3-ol;(1R,9R,12S)-9-methyl-12-prop-1-en-2-yl-5-propyl-8-oxatricyclo[7.3.1.02,7]trideca-2,4,6-trien-3-ol;(1R,9R,12R)-9-methyl-12-prop-1-en-2-yl-5-propyl-8-oxatricyclo[7.3.1.02,7]trideca-2,4,6-trien-3-ol;(1S,9S,12R)-9-methyl-12-prop-1-en-2-yl-5-propyl-8-oxatricyclo[7.3.1.02,7]trideca-2,4,6-trien-3-ol?

The InChIKey is VBHYYNIEGASEFY-ZWHWJSLQSA-N. The full InChI is InChI=1S/C21H30O2.C21H26O2.C21H24O2.3C19H26O2/c1-5-6-7-8-15-11-18(22)20-17-13-21(4,23-19(20)12-15)10-9-16(17)14(2)3;2*1-5-6-7-8-15-11-17(22)20-18(12-15)23-21-14(4)9-10-16(13(2)3)19(20)21;3*1-5-6-13-9-16(20)18-15-11-19(4,21-17(18)10-13)8-7-14(15)12(2)3/h11-12,16-17,22H,2,5-10,13H2,1,3-4H3;9-13,22H,5-8H2,1-4H3;9-12,22H,2,5-8H2,1,3-4H3;3*9-10,14-15,20H,2,5-8,11H2,1,3-4H3/t16-,17+,21+;;;14-,15+,19+;2*14-,15-,19-/m0..010/s1.

What are the key properties of 6-methyl-3-pentyl-9-propan-2-yldibenzofuran-1-ol;6-methyl-3-pentyl-9-prop-1-en-2-yldibenzofuran-1-ol;(1R,9R,12R)-9-methyl-5-pentyl-12-prop-1-en-2-yl-8-oxatricyclo[7.3.1.02,7]trideca-2,4,6-trien-3-ol;(1R,9R,12S)-9-methyl-12-prop-1-en-2-yl-5-propyl-8-oxatricyclo[7.3.1.02,7]trideca-2,4,6-trien-3-ol;(1R,9R,12R)-9-methyl-12-prop-1-en-2-yl-5-propyl-8-oxatricyclo[7.3.1.02,7]trideca-2,4,6-trien-3-ol;(1S,9S,12R)-9-methyl-12-prop-1-en-2-yl-5-propyl-8-oxatricyclo[7.3.1.02,7]trideca-2,4,6-trien-3-ol?

6-methyl-3-pentyl-9-propan-2-yldibenzofuran-1-ol;6-methyl-3-pentyl-9-prop-1-en-2-yldibenzofuran-1-ol;(1R,9R,12R)-9-methyl-5-pentyl-12-prop-1-en-2-yl-8-oxatricyclo[7.3.1.02,7]trideca-2,4,6-trien-3-ol;(1R,9R,12S)-9-methyl-12-prop-1-en-2-yl-5-propyl-8-oxatricyclo[7.3.1.02,7]trideca-2,4,6-trien-3-ol;(1R,9R,12R)-9-methyl-12-prop-1-en-2-yl-5-propyl-8-oxatricyclo[7.3.1.02,7]trideca-2,4,6-trien-3-ol;(1S,9S,12R)-9-methyl-12-prop-1-en-2-yl-5-propyl-8-oxatricyclo[7.3.1.02,7]trideca-2,4,6-trien-3-ol has a molecular weight of 1792.57 g/mol, XLogP of 33.42, 24 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 6-methyl-3-pentyl-9-propan-2-yldibenzofuran-1-ol;6-methyl-3-pentyl-9-prop-1-en-2-yldibenzofuran-1-ol;(1R,9R,12R)-9-methyl-5-pentyl-12-prop-1-en-2-yl-8-oxatricyclo[7.3.1.02,7]trideca-2,4,6-trien-3-ol;(1R,9R,12S)-9-methyl-12-prop-1-en-2-yl-5-propyl-8-oxatricyclo[7.3.1.02,7]trideca-2,4,6-trien-3-ol;(1R,9R,12R)-9-methyl-12-prop-1-en-2-yl-5-propyl-8-oxatricyclo[7.3.1.02,7]trideca-2,4,6-trien-3-ol;(1S,9S,12R)-9-methyl-12-prop-1-en-2-yl-5-propyl-8-oxatricyclo[7.3.1.02,7]trideca-2,4,6-trien-3-ol is sourced from PubChem (CID 161251391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).