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

C88H136O8 — CID 172870044

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

3-[2-[[(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl]oxy]ethoxy]-2-[(3S)-3,7-dimethyloctyl]-5-pentylphenol;3-[2-[[(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl]oxy]ethoxy]-2-[(3R)-3,7-dimethyloctyl]-5-pentylphenol (PubChem CID 172870044) has the molecular formula C88H136O8 and a molecular weight of 1322.05 g/mol. Its IUPAC name is 3-[2-[[(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl]oxy]ethoxy]-2-[(3S)-3,7-dimethyloctyl]-5-pentylphenol;3-[2-[[(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl]oxy]ethoxy]-2-[(3R)-3,7-dimethyloctyl]-5-pentylphenol.

Molecular Properties

• Compound Name: 3-[2-[[(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl]oxy]ethoxy]-2-[(3S)-3,7-dimethyloctyl]-5-pentylphenol;3-[2-[[(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl]oxy]ethoxy]-2-[(3R)-3,7-dimethyloctyl]-5-pentylphenol
• PubChem CID: 172870044
• Molecular Formula: C88H136O8
• Molecular Weight: 1322.05 g/mol
• Exact Mass: 1321.02
• IUPAC Name: 3-[2-[[(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl]oxy]ethoxy]-2-[(3S)-3,7-dimethyloctyl]-5-pentylphenol;3-[2-[[(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl]oxy]ethoxy]-2-[(3R)-3,7-dimethyloctyl]-5-pentylphenol
• SMILES: CCCCCc1cc(O)c(CC[C@@H](C)CCCC(C)C)c(OCCOc2cc(CCCCC)cc3c2[C@@H]2C=C(C)CC[C@H]2C(C)(C)O3)c1.CCCCCc1cc(O)c(CC[C@H](C)CCCC(C)C)c(OCCOc2cc(CCCCC)cc3c2[C@@H]2C=C(C)CC[C@H]2C(C)(C)O3)c1
• InChI: InChI=1S/2C44H68O4/c2*1-9-11-13-18-34-27-39(45)36(22-20-32(5)17-15-16-31(3)4)40(28-34)46-24-25-47-41-29-35(19-14-12-10-2)30-42-43(41)37-26-33(6)21-23-38(37)44(7,8)48-42/h2*26-32,37-38,45H,9-25H2,1-8H3/t32-,37+,38+;32-,37-,38-/m01/s1
• InChIKey: GWAJAWXMVOITNJ-MRHUMHRLSA-N
• XLogP: 24.64
• TPSA: 95.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 40
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1322.05
LogP ≤ 5	24.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

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

The IUPAC name of 3-[2-[[(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl]oxy]ethoxy]-2-[(3S)-3,7-dimethyloctyl]-5-pentylphenol;3-[2-[[(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl]oxy]ethoxy]-2-[(3R)-3,7-dimethyloctyl]-5-pentylphenol (CID 172870044) is 3-[2-[[(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl]oxy]ethoxy]-2-[(3S)-3,7-dimethyloctyl]-5-pentylphenol;3-[2-[[(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl]oxy]ethoxy]-2-[(3R)-3,7-dimethyloctyl]-5-pentylphenol.

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

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

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

The InChIKey is GWAJAWXMVOITNJ-MRHUMHRLSA-N. The full InChI is InChI=1S/2C44H68O4/c2*1-9-11-13-18-34-27-39(45)36(22-20-32(5)17-15-16-31(3)4)40(28-34)46-24-25-47-41-29-35(19-14-12-10-2)30-42-43(41)37-26-33(6)21-23-38(37)44(7,8)48-42/h2*26-32,37-38,45H,9-25H2,1-8H3/t32-,37+,38+;32-,37-,38-/m01/s1.

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

3-[2-[[(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl]oxy]ethoxy]-2-[(3S)-3,7-dimethyloctyl]-5-pentylphenol;3-[2-[[(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl]oxy]ethoxy]-2-[(3R)-3,7-dimethyloctyl]-5-pentylphenol has a molecular weight of 1322.05 g/mol, XLogP of 24.64, 40 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[[(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl]oxy]ethoxy]-2-[(3S)-3,7-dimethyloctyl]-5-pentylphenol;3-[2-[[(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl]oxy]ethoxy]-2-[(3R)-3,7-dimethyloctyl]-5-pentylphenol is sourced from PubChem (CID 172870044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).