9-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-methyl-9-(2-propoxyethyl)fluorene

C26H36O4 — CID 142549933

IUPAC9-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-methyl-9-(2-propoxyethyl)fluorene
SMILESCCCOCCC1(CCOCCOCCOC)c2ccccc2-c2ccc(C)cc21
InChIInChI=1S/C26H36O4/c1-4-13-28-14-11-26(12-15-29-18-19-30-17-16-27-3)24-8-6-5-7-22(24)23-10-9-21(2)20-25(23)26/h5-10,20H,4,11-19H2,1-3H3
InChIKeyOLJIORXJVPMNTB-UHFFFAOYSA-N
MW412.57 g/mol
LogP5.15
Rot. Bonds14

About 9-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-methyl-9-(2-propoxyethyl)fluorene

9-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-methyl-9-(2-propoxyethyl)fluorene (PubChem CID 142549933) has the molecular formula C26H36O4 and a molecular weight of 412.57 g/mol. Its IUPAC name is 9-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-methyl-9-(2-propoxyethyl)fluorene.

Molecular Properties

Compound Name9-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-methyl-9-(2-propoxyethyl)fluorene
PubChem CID142549933
Molecular FormulaC26H36O4
Molecular Weight412.57 g/mol
Exact Mass412.26
IUPAC Name9-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-methyl-9-(2-propoxyethyl)fluorene
SMILESCCCOCCC1(CCOCCOCCOC)c2ccccc2-c2ccc(C)cc21
InChIInChI=1S/C26H36O4/c1-4-13-28-14-11-26(12-15-29-18-19-30-17-16-27-3)24-8-6-5-7-22(24)23-10-9-21(2)20-25(23)26/h5-10,20H,4,11-19H2,1-3H3
InChIKeyOLJIORXJVPMNTB-UHFFFAOYSA-N
XLogP5.15
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.57
LogP ≤ 55.15
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-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-methyl-9-(2-propoxyethyl)fluorene?
The IUPAC name of 9-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-methyl-9-(2-propoxyethyl)fluorene (CID 142549933) is 9-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-methyl-9-(2-propoxyethyl)fluorene.
What is the SMILES notation for 9-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-methyl-9-(2-propoxyethyl)fluorene?
The canonical SMILES for 9-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-methyl-9-(2-propoxyethyl)fluorene is CCCOCCC1(CCOCCOCCOC)c2ccccc2-c2ccc(C)cc21.
What is the InChIKey of 9-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-methyl-9-(2-propoxyethyl)fluorene?
The InChIKey is OLJIORXJVPMNTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36O4/c1-4-13-28-14-11-26(12-15-29-18-19-30-17-16-27-3)24-8-6-5-7-22(24)23-10-9-21(2)20-25(23)26/h5-10,20H,4,11-19H2,1-3H3.
What are the key properties of 9-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-methyl-9-(2-propoxyethyl)fluorene?
9-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-methyl-9-(2-propoxyethyl)fluorene has a molecular weight of 412.57 g/mol, XLogP of 5.15, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-methyl-9-(2-propoxyethyl)fluorene is sourced from PubChem (CID 142549933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).