9,9-bis[6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]hexyl]-2,7-dimethylfluorene

C41H66O8 — CID 20631271

IUPAC9,9-bis[6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]hexyl]-2,7-dimethylfluorene
SMILESCOCCOCCOCCOCCCCCCC1(CCCCCCOCCOCCOCCOC)c2cc(C)ccc2-c2ccc(C)cc21
InChIInChI=1S/C41H66O8/c1-35-13-15-37-38-16-14-36(2)34-40(38)41(39(37)33-35,17-9-5-7-11-19-44-25-27-48-31-29-46-23-21-42-3)18-10-6-8-12-20-45-26-28-49-32-30-47-24-22-43-4/h13-16,33-34H,5-12,17-32H2,1-4H3
InChIKeyBEZPSVLSQYAKIM-UHFFFAOYSA-N
MW686.97 g/mol
LogP7.86
Rot. Bonds32

About 9,9-bis[6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]hexyl]-2,7-dimethylfluorene

9,9-bis[6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]hexyl]-2,7-dimethylfluorene (PubChem CID 20631271) has the molecular formula C41H66O8 and a molecular weight of 686.97 g/mol. Its IUPAC name is 9,9-bis[6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]hexyl]-2,7-dimethylfluorene.

Molecular Properties

Compound Name9,9-bis[6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]hexyl]-2,7-dimethylfluorene
PubChem CID20631271
Molecular FormulaC41H66O8
Molecular Weight686.97 g/mol
Exact Mass686.48
IUPAC Name9,9-bis[6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]hexyl]-2,7-dimethylfluorene
SMILESCOCCOCCOCCOCCCCCCC1(CCCCCCOCCOCCOCCOC)c2cc(C)ccc2-c2ccc(C)cc21
InChIInChI=1S/C41H66O8/c1-35-13-15-37-38-16-14-36(2)34-40(38)41(39(37)33-35,17-9-5-7-11-19-44-25-27-48-31-29-46-23-21-42-3)18-10-6-8-12-20-45-26-28-49-32-30-47-24-22-43-4/h13-16,33-34H,5-12,17-32H2,1-4H3
InChIKeyBEZPSVLSQYAKIM-UHFFFAOYSA-N
XLogP7.86
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds32
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500686.97
LogP ≤ 57.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9,9-bis[6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]hexyl]-2,7-dimethylfluorene?
The IUPAC name of 9,9-bis[6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]hexyl]-2,7-dimethylfluorene (CID 20631271) is 9,9-bis[6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]hexyl]-2,7-dimethylfluorene.
What is the SMILES notation for 9,9-bis[6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]hexyl]-2,7-dimethylfluorene?
The canonical SMILES for 9,9-bis[6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]hexyl]-2,7-dimethylfluorene is COCCOCCOCCOCCCCCCC1(CCCCCCOCCOCCOCCOC)c2cc(C)ccc2-c2ccc(C)cc21.
What is the InChIKey of 9,9-bis[6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]hexyl]-2,7-dimethylfluorene?
The InChIKey is BEZPSVLSQYAKIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H66O8/c1-35-13-15-37-38-16-14-36(2)34-40(38)41(39(37)33-35,17-9-5-7-11-19-44-25-27-48-31-29-46-23-21-42-3)18-10-6-8-12-20-45-26-28-49-32-30-47-24-22-43-4/h13-16,33-34H,5-12,17-32H2,1-4H3.
What are the key properties of 9,9-bis[6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]hexyl]-2,7-dimethylfluorene?
9,9-bis[6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]hexyl]-2,7-dimethylfluorene has a molecular weight of 686.97 g/mol, XLogP of 7.86, 32 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-bis[6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]hexyl]-2,7-dimethylfluorene is sourced from PubChem (CID 20631271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).