1-[2-[2-[[(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl]oxy]ethoxy]ethoxy]-6,6,9-trimethyl-3-pentylbenzo[c]chromene

C46H62O5 — CID 172914325

About 1-[2-[2-[[(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl]oxy]ethoxy]ethoxy]-6,6,9-trimethyl-3-pentylbenzo[c]chromene

1-[2-[2-[[(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl]oxy]ethoxy]ethoxy]-6,6,9-trimethyl-3-pentylbenzo[c]chromene (PubChem CID 172914325) has the molecular formula C46H62O5 and a molecular weight of 695.00 g/mol. Its IUPAC name is 1-[2-[2-[[(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl]oxy]ethoxy]ethoxy]-6,6,9-trimethyl-3-pentylbenzo[c]chromene.

Molecular Properties

• Compound Name: 1-[2-[2-[[(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl]oxy]ethoxy]ethoxy]-6,6,9-trimethyl-3-pentylbenzo[c]chromene
• PubChem CID: 172914325
• Molecular Formula: C46H62O5
• Molecular Weight: 695.00 g/mol
• Exact Mass: 694.46
• IUPAC Name: 1-[2-[2-[[(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl]oxy]ethoxy]ethoxy]-6,6,9-trimethyl-3-pentylbenzo[c]chromene
• SMILES: CCCCCc1cc(OCCOCCOc2cc(CCCCC)cc3c2[C@@H]2C=C(C)CC[C@H]2C(C)(C)O3)c2c(c1)OC(C)(C)c1ccc(C)cc1-2
• InChI: InChI=1S/C46H62O5/c1-9-11-13-15-33-27-39(43-35-25-31(3)17-19-37(35)45(5,6)50-41(43)29-33)48-23-21-47-22-24-49-40-28-34(16-14-12-10-2)30-42-44(40)36-26-32(4)18-20-38(36)46(7,8)51-42/h17,19,25-30,36,38H,9-16,18,20-24H2,1-8H3/t36-,38-/m1/s1
• InChIKey: UGEMSYSMUZSCFP-XXKIVBBDSA-N
• XLogP: 11.84
• TPSA: 46.15 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 16
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	695.00
LogP ≤ 5	11.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

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 1-[2-[2-[[(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl]oxy]ethoxy]ethoxy]-6,6,9-trimethyl-3-pentylbenzo[c]chromene?

The IUPAC name of 1-[2-[2-[[(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl]oxy]ethoxy]ethoxy]-6,6,9-trimethyl-3-pentylbenzo[c]chromene (CID 172914325) is 1-[2-[2-[[(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl]oxy]ethoxy]ethoxy]-6,6,9-trimethyl-3-pentylbenzo[c]chromene.

What is the SMILES notation for 1-[2-[2-[[(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl]oxy]ethoxy]ethoxy]-6,6,9-trimethyl-3-pentylbenzo[c]chromene?

The canonical SMILES for 1-[2-[2-[[(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl]oxy]ethoxy]ethoxy]-6,6,9-trimethyl-3-pentylbenzo[c]chromene is CCCCCc1cc(OCCOCCOc2cc(CCCCC)cc3c2[C@@H]2C=C(C)CC[C@H]2C(C)(C)O3)c2c(c1)OC(C)(C)c1ccc(C)cc1-2.

What is the InChIKey of 1-[2-[2-[[(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl]oxy]ethoxy]ethoxy]-6,6,9-trimethyl-3-pentylbenzo[c]chromene?

The InChIKey is UGEMSYSMUZSCFP-XXKIVBBDSA-N. The full InChI is InChI=1S/C46H62O5/c1-9-11-13-15-33-27-39(43-35-25-31(3)17-19-37(35)45(5,6)50-41(43)29-33)48-23-21-47-22-24-49-40-28-34(16-14-12-10-2)30-42-44(40)36-26-32(4)18-20-38(36)46(7,8)51-42/h17,19,25-30,36,38H,9-16,18,20-24H2,1-8H3/t36-,38-/m1/s1.

What are the key properties of 1-[2-[2-[[(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl]oxy]ethoxy]ethoxy]-6,6,9-trimethyl-3-pentylbenzo[c]chromene?

1-[2-[2-[[(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl]oxy]ethoxy]ethoxy]-6,6,9-trimethyl-3-pentylbenzo[c]chromene has a molecular weight of 695.00 g/mol, XLogP of 11.84, 16 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[2-[[(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl]oxy]ethoxy]ethoxy]-6,6,9-trimethyl-3-pentylbenzo[c]chromene is sourced from PubChem (CID 172914325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).