9,9-bis[2-[2-(2-methoxyethoxy)ethoxy]ethyl]fluorene

C27H38O6 — CID 67292775

IUPAC9,9-bis[2-[2-(2-methoxyethoxy)ethoxy]ethyl]fluorene
SMILESCOCCOCCOCCC1(CCOCCOCCOC)c2ccccc2-c2ccccc21
InChIInChI=1S/C27H38O6/c1-28-15-17-32-21-19-30-13-11-27(12-14-31-20-22-33-18-16-29-2)25-9-5-3-7-23(25)24-8-4-6-10-26(24)27/h3-10H,11-22H2,1-2H3
InChIKeyBDTNCTTZAKEYSJ-UHFFFAOYSA-N
MW458.60 g/mol
LogP4.09
Rot. Bonds18

About 9,9-bis[2-[2-(2-methoxyethoxy)ethoxy]ethyl]fluorene

9,9-bis[2-[2-(2-methoxyethoxy)ethoxy]ethyl]fluorene (PubChem CID 67292775) has the molecular formula C27H38O6 and a molecular weight of 458.60 g/mol. Its IUPAC name is 9,9-bis[2-[2-(2-methoxyethoxy)ethoxy]ethyl]fluorene.

Molecular Properties

Compound Name9,9-bis[2-[2-(2-methoxyethoxy)ethoxy]ethyl]fluorene
PubChem CID67292775
Molecular FormulaC27H38O6
Molecular Weight458.60 g/mol
Exact Mass458.27
IUPAC Name9,9-bis[2-[2-(2-methoxyethoxy)ethoxy]ethyl]fluorene
SMILESCOCCOCCOCCC1(CCOCCOCCOC)c2ccccc2-c2ccccc21
InChIInChI=1S/C27H38O6/c1-28-15-17-32-21-19-30-13-11-27(12-14-31-20-22-33-18-16-29-2)25-9-5-3-7-23(25)24-8-4-6-10-26(24)27/h3-10H,11-22H2,1-2H3
InChIKeyBDTNCTTZAKEYSJ-UHFFFAOYSA-N
XLogP4.09
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.60
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 9,9-bis[2-[2-(2-methoxyethoxy)ethoxy]ethyl]fluorene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9,9-bis[2-[2-(2-methoxyethoxy)ethoxy]ethyl]fluorene?
The IUPAC name of 9,9-bis[2-[2-(2-methoxyethoxy)ethoxy]ethyl]fluorene (CID 67292775) is 9,9-bis[2-[2-(2-methoxyethoxy)ethoxy]ethyl]fluorene.
What is the SMILES notation for 9,9-bis[2-[2-(2-methoxyethoxy)ethoxy]ethyl]fluorene?
The canonical SMILES for 9,9-bis[2-[2-(2-methoxyethoxy)ethoxy]ethyl]fluorene is COCCOCCOCCC1(CCOCCOCCOC)c2ccccc2-c2ccccc21.
What is the InChIKey of 9,9-bis[2-[2-(2-methoxyethoxy)ethoxy]ethyl]fluorene?
The InChIKey is BDTNCTTZAKEYSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38O6/c1-28-15-17-32-21-19-30-13-11-27(12-14-31-20-22-33-18-16-29-2)25-9-5-3-7-23(25)24-8-4-6-10-26(24)27/h3-10H,11-22H2,1-2H3.
What are the key properties of 9,9-bis[2-[2-(2-methoxyethoxy)ethoxy]ethyl]fluorene?
9,9-bis[2-[2-(2-methoxyethoxy)ethoxy]ethyl]fluorene has a molecular weight of 458.60 g/mol, XLogP of 4.09, 18 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-bis[2-[2-(2-methoxyethoxy)ethoxy]ethyl]fluorene is sourced from PubChem (CID 67292775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).