2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-5-pentylbenzene-1,3-diol;2-(3-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl)-5-pentylbenzene-1,3-diol;6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol;6,6,9-trimethyl-3-pentyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol;6,6,9-trimethyl-3-pentyl-6a,7,8,9-tetrahydrobenzo[c]chromen-1-ol

C105H150O10 — CID 167532519

About 2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-5-pentylbenzene-1,3-diol;2-(3-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl)-5-pentylbenzene-1,3-diol;6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol;6,6,9-trimethyl-3-pentyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol;6,6,9-trimethyl-3-pentyl-6a,7,8,9-tetrahydrobenzo[c]chromen-1-ol

2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-5-pentylbenzene-1,3-diol;2-(3-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl)-5-pentylbenzene-1,3-diol;6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol;6,6,9-trimethyl-3-pentyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol;6,6,9-trimethyl-3-pentyl-6a,7,8,9-tetrahydrobenzo[c]chromen-1-ol (PubChem CID 167532519) has the molecular formula C105H150O10 and a molecular weight of 1572.34 g/mol. Its IUPAC name is 2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-5-pentylbenzene-1,3-diol;2-(3-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl)-5-pentylbenzene-1,3-diol;6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol;6,6,9-trimethyl-3-pentyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol;6,6,9-trimethyl-3-pentyl-6a,7,8,9-tetrahydrobenzo[c]chromen-1-ol.

Molecular Properties

• Compound Name: 2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-5-pentylbenzene-1,3-diol;2-(3-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl)-5-pentylbenzene-1,3-diol;6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol;6,6,9-trimethyl-3-pentyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol;6,6,9-trimethyl-3-pentyl-6a,7,8,9-tetrahydrobenzo[c]chromen-1-ol
• PubChem CID: 167532519
• Molecular Formula: C105H150O10
• Molecular Weight: 1572.34 g/mol
• Exact Mass: 1571.12
• IUPAC Name: 2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-5-pentylbenzene-1,3-diol;2-(3-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl)-5-pentylbenzene-1,3-diol;6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol;6,6,9-trimethyl-3-pentyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol;6,6,9-trimethyl-3-pentyl-6a,7,8,9-tetrahydrobenzo[c]chromen-1-ol
• SMILES: C=C(C)C1CC=C(C)CC1c1c(O)cc(CCCCC)cc1O.C=C(C)C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1O.CCCCCc1cc(O)c2c(c1)OC(C)(C)C1CC=C(C)CC21.CCCCCc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC21.CCCCCc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)C=C21
• InChI: InChI=1S/5C21H30O2/c3*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;2*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/h11-13,16-17,22H,5-10H2,1-4H3;11-14,17,22H,5-10H2,1-4H3;9,12-13,16-17,22H,5-8,10-11H2,1-4H3;11-13,17-18,22-23H,2,5-10H2,1,3-4H3;9,12-13,17-18,22-23H,2,5-8,10-11H2,1,3-4H3
• InChIKey: ADWOUNLRNKZLJQ-UHFFFAOYSA-N
• XLogP: 28.89
• TPSA: 169.30 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 10
• Rotatable Bonds: 24
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1572.34
LogP ≤ 5	28.89
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-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-5-pentylbenzene-1,3-diol;2-(3-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl)-5-pentylbenzene-1,3-diol;6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol;6,6,9-trimethyl-3-pentyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol;6,6,9-trimethyl-3-pentyl-6a,7,8,9-tetrahydrobenzo[c]chromen-1-ol?

The IUPAC name of 2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-5-pentylbenzene-1,3-diol;2-(3-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl)-5-pentylbenzene-1,3-diol;6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol;6,6,9-trimethyl-3-pentyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol;6,6,9-trimethyl-3-pentyl-6a,7,8,9-tetrahydrobenzo[c]chromen-1-ol (CID 167532519) is 2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-5-pentylbenzene-1,3-diol;2-(3-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl)-5-pentylbenzene-1,3-diol;6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol;6,6,9-trimethyl-3-pentyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol;6,6,9-trimethyl-3-pentyl-6a,7,8,9-tetrahydrobenzo[c]chromen-1-ol.

What is the SMILES notation for 2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-5-pentylbenzene-1,3-diol;2-(3-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl)-5-pentylbenzene-1,3-diol;6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol;6,6,9-trimethyl-3-pentyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol;6,6,9-trimethyl-3-pentyl-6a,7,8,9-tetrahydrobenzo[c]chromen-1-ol?

The canonical SMILES for 2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-5-pentylbenzene-1,3-diol;2-(3-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl)-5-pentylbenzene-1,3-diol;6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol;6,6,9-trimethyl-3-pentyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol;6,6,9-trimethyl-3-pentyl-6a,7,8,9-tetrahydrobenzo[c]chromen-1-ol is C=C(C)C1CC=C(C)CC1c1c(O)cc(CCCCC)cc1O.C=C(C)C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1O.CCCCCc1cc(O)c2c(c1)OC(C)(C)C1CC=C(C)CC21.CCCCCc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC21.CCCCCc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)C=C21.

What is the InChIKey of 2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-5-pentylbenzene-1,3-diol;2-(3-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl)-5-pentylbenzene-1,3-diol;6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol;6,6,9-trimethyl-3-pentyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol;6,6,9-trimethyl-3-pentyl-6a,7,8,9-tetrahydrobenzo[c]chromen-1-ol?

The InChIKey is ADWOUNLRNKZLJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/5C21H30O2/c3*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;2*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/h11-13,16-17,22H,5-10H2,1-4H3;11-14,17,22H,5-10H2,1-4H3;9,12-13,16-17,22H,5-8,10-11H2,1-4H3;11-13,17-18,22-23H,2,5-10H2,1,3-4H3;9,12-13,17-18,22-23H,2,5-8,10-11H2,1,3-4H3.

What are the key properties of 2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-5-pentylbenzene-1,3-diol;2-(3-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl)-5-pentylbenzene-1,3-diol;6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol;6,6,9-trimethyl-3-pentyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol;6,6,9-trimethyl-3-pentyl-6a,7,8,9-tetrahydrobenzo[c]chromen-1-ol?

2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-5-pentylbenzene-1,3-diol;2-(3-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl)-5-pentylbenzene-1,3-diol;6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol;6,6,9-trimethyl-3-pentyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol;6,6,9-trimethyl-3-pentyl-6a,7,8,9-tetrahydrobenzo[c]chromen-1-ol has a molecular weight of 1572.34 g/mol, XLogP of 28.89, 24 rotatable bonds, 7 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-5-pentylbenzene-1,3-diol;2-(3-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl)-5-pentylbenzene-1,3-diol;6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol;6,6,9-trimethyl-3-pentyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol;6,6,9-trimethyl-3-pentyl-6a,7,8,9-tetrahydrobenzo[c]chromen-1-ol is sourced from PubChem (CID 167532519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).