3-[2-[[(6aR,9S,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,9,10,10a-hexahydrobenzo[c]chromen-1-yl]oxy]ethoxy]-2-(5-methyl-2-propan-2-ylphenyl)-5-pentylphenol;3-[2-[[(6aR,9R,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,9,10,10a-hexahydrobenzo[c]chromen-1-yl]oxy]ethoxy]-2-(5-methyl-2-propan-2-ylphenyl)-5-pentylphenol

C88H124O8 — CID 172870138

About 3-[2-[[(6aR,9S,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,9,10,10a-hexahydrobenzo[c]chromen-1-yl]oxy]ethoxy]-2-(5-methyl-2-propan-2-ylphenyl)-5-pentylphenol;3-[2-[[(6aR,9R,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,9,10,10a-hexahydrobenzo[c]chromen-1-yl]oxy]ethoxy]-2-(5-methyl-2-propan-2-ylphenyl)-5-pentylphenol

3-[2-[[(6aR,9S,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,9,10,10a-hexahydrobenzo[c]chromen-1-yl]oxy]ethoxy]-2-(5-methyl-2-propan-2-ylphenyl)-5-pentylphenol;3-[2-[[(6aR,9R,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,9,10,10a-hexahydrobenzo[c]chromen-1-yl]oxy]ethoxy]-2-(5-methyl-2-propan-2-ylphenyl)-5-pentylphenol (PubChem CID 172870138) has the molecular formula C88H124O8 and a molecular weight of 1309.95 g/mol. Its IUPAC name is 3-[2-[[(6aR,9S,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,9,10,10a-hexahydrobenzo[c]chromen-1-yl]oxy]ethoxy]-2-(5-methyl-2-propan-2-ylphenyl)-5-pentylphenol;3-[2-[[(6aR,9R,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,9,10,10a-hexahydrobenzo[c]chromen-1-yl]oxy]ethoxy]-2-(5-methyl-2-propan-2-ylphenyl)-5-pentylphenol.

Molecular Properties

• Compound Name: 3-[2-[[(6aR,9S,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,9,10,10a-hexahydrobenzo[c]chromen-1-yl]oxy]ethoxy]-2-(5-methyl-2-propan-2-ylphenyl)-5-pentylphenol;3-[2-[[(6aR,9R,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,9,10,10a-hexahydrobenzo[c]chromen-1-yl]oxy]ethoxy]-2-(5-methyl-2-propan-2-ylphenyl)-5-pentylphenol
• PubChem CID: 172870138
• Molecular Formula: C88H124O8
• Molecular Weight: 1309.95 g/mol
• Exact Mass: 1308.93
• IUPAC Name: 3-[2-[[(6aR,9S,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,9,10,10a-hexahydrobenzo[c]chromen-1-yl]oxy]ethoxy]-2-(5-methyl-2-propan-2-ylphenyl)-5-pentylphenol;3-[2-[[(6aR,9R,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,9,10,10a-hexahydrobenzo[c]chromen-1-yl]oxy]ethoxy]-2-(5-methyl-2-propan-2-ylphenyl)-5-pentylphenol
• SMILES: CCCCCc1cc(O)c(-c2cc(C)ccc2C(C)C)c(OCCOc2cc(CCCCC)cc3c2[C@@H]2C[C@@H](C)CC[C@H]2C(C)(C)O3)c1.CCCCCc1cc(O)c(-c2cc(C)ccc2C(C)C)c(OCCOc2cc(CCCCC)cc3c2[C@@H]2C[C@H](C)CC[C@H]2C(C)(C)O3)c1
• InChI: InChI=1S/2C44H62O4/c2*1-9-11-13-15-32-25-38(45)42(35-23-30(5)17-19-34(35)29(3)4)39(26-32)46-21-22-47-40-27-33(16-14-12-10-2)28-41-43(40)36-24-31(6)18-20-37(36)44(7,8)48-41/h2*17,19,23,25-29,31,36-37,45H,9-16,18,20-22,24H2,1-8H3/t31-,36+,37+;31-,36-,37-/m01/s1
• InChIKey: AODGKADARSITHK-TZWFXYELSA-N
• XLogP: 24.21
• TPSA: 95.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 30
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1309.95
LogP ≤ 5	24.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[(6aR,9S,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,9,10,10a-hexahydrobenzo[c]chromen-1-yl]oxy]ethoxy]-2-(5-methyl-2-propan-2-ylphenyl)-5-pentylphenol;3-[2-[[(6aR,9R,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,9,10,10a-hexahydrobenzo[c]chromen-1-yl]oxy]ethoxy]-2-(5-methyl-2-propan-2-ylphenyl)-5-pentylphenol?

The IUPAC name of 3-[2-[[(6aR,9S,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,9,10,10a-hexahydrobenzo[c]chromen-1-yl]oxy]ethoxy]-2-(5-methyl-2-propan-2-ylphenyl)-5-pentylphenol;3-[2-[[(6aR,9R,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,9,10,10a-hexahydrobenzo[c]chromen-1-yl]oxy]ethoxy]-2-(5-methyl-2-propan-2-ylphenyl)-5-pentylphenol (CID 172870138) is 3-[2-[[(6aR,9S,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,9,10,10a-hexahydrobenzo[c]chromen-1-yl]oxy]ethoxy]-2-(5-methyl-2-propan-2-ylphenyl)-5-pentylphenol;3-[2-[[(6aR,9R,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,9,10,10a-hexahydrobenzo[c]chromen-1-yl]oxy]ethoxy]-2-(5-methyl-2-propan-2-ylphenyl)-5-pentylphenol.

What is the SMILES notation for 3-[2-[[(6aR,9S,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,9,10,10a-hexahydrobenzo[c]chromen-1-yl]oxy]ethoxy]-2-(5-methyl-2-propan-2-ylphenyl)-5-pentylphenol;3-[2-[[(6aR,9R,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,9,10,10a-hexahydrobenzo[c]chromen-1-yl]oxy]ethoxy]-2-(5-methyl-2-propan-2-ylphenyl)-5-pentylphenol?

The canonical SMILES for 3-[2-[[(6aR,9S,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,9,10,10a-hexahydrobenzo[c]chromen-1-yl]oxy]ethoxy]-2-(5-methyl-2-propan-2-ylphenyl)-5-pentylphenol;3-[2-[[(6aR,9R,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,9,10,10a-hexahydrobenzo[c]chromen-1-yl]oxy]ethoxy]-2-(5-methyl-2-propan-2-ylphenyl)-5-pentylphenol is CCCCCc1cc(O)c(-c2cc(C)ccc2C(C)C)c(OCCOc2cc(CCCCC)cc3c2[C@@H]2C[C@@H](C)CC[C@H]2C(C)(C)O3)c1.CCCCCc1cc(O)c(-c2cc(C)ccc2C(C)C)c(OCCOc2cc(CCCCC)cc3c2[C@@H]2C[C@H](C)CC[C@H]2C(C)(C)O3)c1.

What is the InChIKey of 3-[2-[[(6aR,9S,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,9,10,10a-hexahydrobenzo[c]chromen-1-yl]oxy]ethoxy]-2-(5-methyl-2-propan-2-ylphenyl)-5-pentylphenol;3-[2-[[(6aR,9R,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,9,10,10a-hexahydrobenzo[c]chromen-1-yl]oxy]ethoxy]-2-(5-methyl-2-propan-2-ylphenyl)-5-pentylphenol?

The InChIKey is AODGKADARSITHK-TZWFXYELSA-N. The full InChI is InChI=1S/2C44H62O4/c2*1-9-11-13-15-32-25-38(45)42(35-23-30(5)17-19-34(35)29(3)4)39(26-32)46-21-22-47-40-27-33(16-14-12-10-2)28-41-43(40)36-24-31(6)18-20-37(36)44(7,8)48-41/h2*17,19,23,25-29,31,36-37,45H,9-16,18,20-22,24H2,1-8H3/t31-,36+,37+;31-,36-,37-/m01/s1.

What are the key properties of 3-[2-[[(6aR,9S,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,9,10,10a-hexahydrobenzo[c]chromen-1-yl]oxy]ethoxy]-2-(5-methyl-2-propan-2-ylphenyl)-5-pentylphenol;3-[2-[[(6aR,9R,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,9,10,10a-hexahydrobenzo[c]chromen-1-yl]oxy]ethoxy]-2-(5-methyl-2-propan-2-ylphenyl)-5-pentylphenol?

3-[2-[[(6aR,9S,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,9,10,10a-hexahydrobenzo[c]chromen-1-yl]oxy]ethoxy]-2-(5-methyl-2-propan-2-ylphenyl)-5-pentylphenol;3-[2-[[(6aR,9R,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,9,10,10a-hexahydrobenzo[c]chromen-1-yl]oxy]ethoxy]-2-(5-methyl-2-propan-2-ylphenyl)-5-pentylphenol has a molecular weight of 1309.95 g/mol, XLogP of 24.21, 30 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[[(6aR,9S,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,9,10,10a-hexahydrobenzo[c]chromen-1-yl]oxy]ethoxy]-2-(5-methyl-2-propan-2-ylphenyl)-5-pentylphenol;3-[2-[[(6aR,9R,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,9,10,10a-hexahydrobenzo[c]chromen-1-yl]oxy]ethoxy]-2-(5-methyl-2-propan-2-ylphenyl)-5-pentylphenol is sourced from PubChem (CID 172870138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).