(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol;2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-pentylbenzene-1,3-diol;2-[(1S,6S)-6-hydroxy-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylbenzene-1,3-diol;2-methyl-2-(4-methylpent-3-enyl)-7-pentylchromen-5-ol;6,6,9-trimethyl-3-pentylbenzo[c]chromen-1-ol

C105H148O11 — CID 165062118

About (6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol;2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-pentylbenzene-1,3-diol;2-[(1S,6S)-6-hydroxy-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylbenzene-1,3-diol;2-methyl-2-(4-methylpent-3-enyl)-7-pentylchromen-5-ol;6,6,9-trimethyl-3-pentylbenzo[c]chromen-1-ol

(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol;2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-pentylbenzene-1,3-diol;2-[(1S,6S)-6-hydroxy-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylbenzene-1,3-diol;2-methyl-2-(4-methylpent-3-enyl)-7-pentylchromen-5-ol;6,6,9-trimethyl-3-pentylbenzo[c]chromen-1-ol (PubChem CID 165062118) has the molecular formula C105H148O11 and a molecular weight of 1586.33 g/mol. Its IUPAC name is (6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol;2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-pentylbenzene-1,3-diol;2-[(1S,6S)-6-hydroxy-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylbenzene-1,3-diol;2-methyl-2-(4-methylpent-3-enyl)-7-pentylchromen-5-ol;6,6,9-trimethyl-3-pentylbenzo[c]chromen-1-ol.

Molecular Properties

• Compound Name: (6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol;2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-pentylbenzene-1,3-diol;2-[(1S,6S)-6-hydroxy-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylbenzene-1,3-diol;2-methyl-2-(4-methylpent-3-enyl)-7-pentylchromen-5-ol;6,6,9-trimethyl-3-pentylbenzo[c]chromen-1-ol
• PubChem CID: 165062118
• Molecular Formula: C105H148O11
• Molecular Weight: 1586.33 g/mol
• Exact Mass: 1585.10
• IUPAC Name: (6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol;2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-pentylbenzene-1,3-diol;2-[(1S,6S)-6-hydroxy-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylbenzene-1,3-diol;2-methyl-2-(4-methylpent-3-enyl)-7-pentylchromen-5-ol;6,6,9-trimethyl-3-pentylbenzo[c]chromen-1-ol
• SMILES: C=C(C)[C@]1(O)CCC(C)=C[C@H]1c1c(O)cc(CCCCC)cc1O.CCCCCc1cc(O)c(C/C=C(\C)CCC=C(C)C)c(O)c1.CCCCCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CCC(C)=C[C@@H]21.CCCCCc1cc(O)c2c(c1)OC(C)(C)c1ccc(C)cc1-2.CCCCCc1cc(O)c2c(c1)OC(C)(CCC=C(C)C)C=C2
• InChI: InChI=1S/C21H30O3.C21H30O2.C21H26O2.C21H30O2.C21H32O2/c1-5-6-7-8-16-12-18(22)20(19(23)13-16)17-11-15(4)9-10-21(17,24)14(2)3;2*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;1-5-6-7-10-17-14-19(22)18-11-13-21(4,23-20(18)15-17)12-8-9-16(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/h11-13,17,22-24H,2,5-10H2,1,3-4H3;11-13,16-17,22H,5-10H2,1-4H3;9-13,22H,5-8H2,1-4H3;9,11,13-15,22H,5-8,10,12H2,1-4H3;9,12,14-15,22-23H,5-8,10-11,13H2,1-4H3/b;;;;17-12+/t17-,21+;16-,17-;;;/m01.../s1
• InChIKey: RJLCHUSDXNQJHA-RSHOGBHPSA-N
• XLogP: 28.53
• TPSA: 189.53 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 11
• Rotatable Bonds: 30
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1586.33
LogP ≤ 5	28.53
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	11

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 (6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol;2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-pentylbenzene-1,3-diol;2-[(1S,6S)-6-hydroxy-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylbenzene-1,3-diol;2-methyl-2-(4-methylpent-3-enyl)-7-pentylchromen-5-ol;6,6,9-trimethyl-3-pentylbenzo[c]chromen-1-ol?

The IUPAC name of (6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol;2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-pentylbenzene-1,3-diol;2-[(1S,6S)-6-hydroxy-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylbenzene-1,3-diol;2-methyl-2-(4-methylpent-3-enyl)-7-pentylchromen-5-ol;6,6,9-trimethyl-3-pentylbenzo[c]chromen-1-ol (CID 165062118) is (6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol;2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-pentylbenzene-1,3-diol;2-[(1S,6S)-6-hydroxy-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylbenzene-1,3-diol;2-methyl-2-(4-methylpent-3-enyl)-7-pentylchromen-5-ol;6,6,9-trimethyl-3-pentylbenzo[c]chromen-1-ol.

What is the SMILES notation for (6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol;2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-pentylbenzene-1,3-diol;2-[(1S,6S)-6-hydroxy-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylbenzene-1,3-diol;2-methyl-2-(4-methylpent-3-enyl)-7-pentylchromen-5-ol;6,6,9-trimethyl-3-pentylbenzo[c]chromen-1-ol?

The canonical SMILES for (6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol;2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-pentylbenzene-1,3-diol;2-[(1S,6S)-6-hydroxy-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylbenzene-1,3-diol;2-methyl-2-(4-methylpent-3-enyl)-7-pentylchromen-5-ol;6,6,9-trimethyl-3-pentylbenzo[c]chromen-1-ol is C=C(C)[C@]1(O)CCC(C)=C[C@H]1c1c(O)cc(CCCCC)cc1O.CCCCCc1cc(O)c(C/C=C(\C)CCC=C(C)C)c(O)c1.CCCCCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CCC(C)=C[C@@H]21.CCCCCc1cc(O)c2c(c1)OC(C)(C)c1ccc(C)cc1-2.CCCCCc1cc(O)c2c(c1)OC(C)(CCC=C(C)C)C=C2.

What is the InChIKey of (6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol;2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-pentylbenzene-1,3-diol;2-[(1S,6S)-6-hydroxy-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylbenzene-1,3-diol;2-methyl-2-(4-methylpent-3-enyl)-7-pentylchromen-5-ol;6,6,9-trimethyl-3-pentylbenzo[c]chromen-1-ol?

The InChIKey is RJLCHUSDXNQJHA-RSHOGBHPSA-N. The full InChI is InChI=1S/C21H30O3.C21H30O2.C21H26O2.C21H30O2.C21H32O2/c1-5-6-7-8-16-12-18(22)20(19(23)13-16)17-11-15(4)9-10-21(17,24)14(2)3;2*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;1-5-6-7-10-17-14-19(22)18-11-13-21(4,23-20(18)15-17)12-8-9-16(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/h11-13,17,22-24H,2,5-10H2,1,3-4H3;11-13,16-17,22H,5-10H2,1-4H3;9-13,22H,5-8H2,1-4H3;9,11,13-15,22H,5-8,10,12H2,1-4H3;9,12,14-15,22-23H,5-8,10-11,13H2,1-4H3/b;;;;17-12+/t17-,21+;16-,17-;;;/m01.../s1.

What are the key properties of (6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol;2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-pentylbenzene-1,3-diol;2-[(1S,6S)-6-hydroxy-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylbenzene-1,3-diol;2-methyl-2-(4-methylpent-3-enyl)-7-pentylchromen-5-ol;6,6,9-trimethyl-3-pentylbenzo[c]chromen-1-ol?

(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol;2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-pentylbenzene-1,3-diol;2-[(1S,6S)-6-hydroxy-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylbenzene-1,3-diol;2-methyl-2-(4-methylpent-3-enyl)-7-pentylchromen-5-ol;6,6,9-trimethyl-3-pentylbenzo[c]chromen-1-ol has a molecular weight of 1586.33 g/mol, XLogP of 28.53, 30 rotatable bonds, 8 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for (6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol;2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-pentylbenzene-1,3-diol;2-[(1S,6S)-6-hydroxy-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylbenzene-1,3-diol;2-methyl-2-(4-methylpent-3-enyl)-7-pentylchromen-5-ol;6,6,9-trimethyl-3-pentylbenzo[c]chromen-1-ol is sourced from PubChem (CID 165062118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).