9,9-bis[2-(2-ethoxyethoxy)ethyl]-2,7-dimethylfluorene

C27H38O4 — CID 20751971

IUPAC9,9-bis[2-(2-ethoxyethoxy)ethyl]-2,7-dimethylfluorene
SMILESCCOCCOCCC1(CCOCCOCC)c2cc(C)ccc2-c2ccc(C)cc21
InChIInChI=1S/C27H38O4/c1-5-28-15-17-30-13-11-27(12-14-31-18-16-29-6-2)25-19-21(3)7-9-23(25)24-10-8-22(4)20-26(24)27/h7-10,19-20H,5-6,11-18H2,1-4H3
InChIKeyLBMSCTZTPKUHQR-UHFFFAOYSA-N
MW426.60 g/mol
LogP5.46
Rot. Bonds14

About 9,9-bis[2-(2-ethoxyethoxy)ethyl]-2,7-dimethylfluorene

9,9-bis[2-(2-ethoxyethoxy)ethyl]-2,7-dimethylfluorene (PubChem CID 20751971) has the molecular formula C27H38O4 and a molecular weight of 426.60 g/mol. Its IUPAC name is 9,9-bis[2-(2-ethoxyethoxy)ethyl]-2,7-dimethylfluorene.

Molecular Properties

Compound Name9,9-bis[2-(2-ethoxyethoxy)ethyl]-2,7-dimethylfluorene
PubChem CID20751971
Molecular FormulaC27H38O4
Molecular Weight426.60 g/mol
Exact Mass426.28
IUPAC Name9,9-bis[2-(2-ethoxyethoxy)ethyl]-2,7-dimethylfluorene
SMILESCCOCCOCCC1(CCOCCOCC)c2cc(C)ccc2-c2ccc(C)cc21
InChIInChI=1S/C27H38O4/c1-5-28-15-17-30-13-11-27(12-14-31-18-16-29-6-2)25-19-21(3)7-9-23(25)24-10-8-22(4)20-26(24)27/h7-10,19-20H,5-6,11-18H2,1-4H3
InChIKeyLBMSCTZTPKUHQR-UHFFFAOYSA-N
XLogP5.46
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.60
LogP ≤ 55.46
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-ethoxyethoxy)ethyl]-2,7-dimethylfluorene?
The IUPAC name of 9,9-bis[2-(2-ethoxyethoxy)ethyl]-2,7-dimethylfluorene (CID 20751971) is 9,9-bis[2-(2-ethoxyethoxy)ethyl]-2,7-dimethylfluorene.
What is the SMILES notation for 9,9-bis[2-(2-ethoxyethoxy)ethyl]-2,7-dimethylfluorene?
The canonical SMILES for 9,9-bis[2-(2-ethoxyethoxy)ethyl]-2,7-dimethylfluorene is CCOCCOCCC1(CCOCCOCC)c2cc(C)ccc2-c2ccc(C)cc21.
What is the InChIKey of 9,9-bis[2-(2-ethoxyethoxy)ethyl]-2,7-dimethylfluorene?
The InChIKey is LBMSCTZTPKUHQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38O4/c1-5-28-15-17-30-13-11-27(12-14-31-18-16-29-6-2)25-19-21(3)7-9-23(25)24-10-8-22(4)20-26(24)27/h7-10,19-20H,5-6,11-18H2,1-4H3.
What are the key properties of 9,9-bis[2-(2-ethoxyethoxy)ethyl]-2,7-dimethylfluorene?
9,9-bis[2-(2-ethoxyethoxy)ethyl]-2,7-dimethylfluorene has a molecular weight of 426.60 g/mol, XLogP of 5.46, 14 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-ethoxyethoxy)ethyl]-2,7-dimethylfluorene is sourced from PubChem (CID 20751971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).