9,9-bis[2-(2-methoxyethoxy)ethyl]-2-methylfluorene

C24H32O4 — CID 21042273

IUPAC9,9-bis[2-(2-methoxyethoxy)ethyl]-2-methylfluorene
SMILESCOCCOCCC1(CCOCCOC)c2ccccc2-c2ccc(C)cc21
InChIInChI=1S/C24H32O4/c1-19-8-9-21-20-6-4-5-7-22(20)24(23(21)18-19,10-12-27-16-14-25-2)11-13-28-17-15-26-3/h4-9,18H,10-17H2,1-3H3
InChIKeyQDFDQKQOIDCHDI-UHFFFAOYSA-N
MW384.52 g/mol
LogP4.37
Rot. Bonds12

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

9,9-bis[2-(2-methoxyethoxy)ethyl]-2-methylfluorene (PubChem CID 21042273) has the molecular formula C24H32O4 and a molecular weight of 384.52 g/mol. Its IUPAC name is 9,9-bis[2-(2-methoxyethoxy)ethyl]-2-methylfluorene.

Molecular Properties

Compound Name9,9-bis[2-(2-methoxyethoxy)ethyl]-2-methylfluorene
PubChem CID21042273
Molecular FormulaC24H32O4
Molecular Weight384.52 g/mol
Exact Mass384.23
IUPAC Name9,9-bis[2-(2-methoxyethoxy)ethyl]-2-methylfluorene
SMILESCOCCOCCC1(CCOCCOC)c2ccccc2-c2ccc(C)cc21
InChIInChI=1S/C24H32O4/c1-19-8-9-21-20-6-4-5-7-22(20)24(23(21)18-19,10-12-27-16-14-25-2)11-13-28-17-15-26-3/h4-9,18H,10-17H2,1-3H3
InChIKeyQDFDQKQOIDCHDI-UHFFFAOYSA-N
XLogP4.37
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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[2-(2-methoxyethoxy)ethyl]-2-methylfluorene?
The IUPAC name of 9,9-bis[2-(2-methoxyethoxy)ethyl]-2-methylfluorene (CID 21042273) is 9,9-bis[2-(2-methoxyethoxy)ethyl]-2-methylfluorene.
What is the SMILES notation for 9,9-bis[2-(2-methoxyethoxy)ethyl]-2-methylfluorene?
The canonical SMILES for 9,9-bis[2-(2-methoxyethoxy)ethyl]-2-methylfluorene is COCCOCCC1(CCOCCOC)c2ccccc2-c2ccc(C)cc21.
What is the InChIKey of 9,9-bis[2-(2-methoxyethoxy)ethyl]-2-methylfluorene?
The InChIKey is QDFDQKQOIDCHDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32O4/c1-19-8-9-21-20-6-4-5-7-22(20)24(23(21)18-19,10-12-27-16-14-25-2)11-13-28-17-15-26-3/h4-9,18H,10-17H2,1-3H3.
What are the key properties of 9,9-bis[2-(2-methoxyethoxy)ethyl]-2-methylfluorene?
9,9-bis[2-(2-methoxyethoxy)ethyl]-2-methylfluorene has a molecular weight of 384.52 g/mol, XLogP of 4.37, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-bis[2-(2-methoxyethoxy)ethyl]-2-methylfluorene is sourced from PubChem (CID 21042273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).