1-[1-[1-[1-(1-methoxyethoxy)ethoxy]ethoxy]ethyl]-9H-fluorene

C22H28O4 — CID 175089715

IUPAC1-[1-[1-[1-(1-methoxyethoxy)ethoxy]ethoxy]ethyl]-9H-fluorene
SMILESCOC(C)OC(C)OC(C)OC(C)c1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C22H28O4/c1-14(24-16(3)26-17(4)25-15(2)23-5)19-11-8-12-21-20-10-7-6-9-18(20)13-22(19)21/h6-12,14-17H,13H2,1-5H3
InChIKeyOMBGDWOZVHPPOH-UHFFFAOYSA-N
MW356.46 g/mol
LogP5.05
Rot. Bonds8

About 1-[1-[1-[1-(1-methoxyethoxy)ethoxy]ethoxy]ethyl]-9H-fluorene

1-[1-[1-[1-(1-methoxyethoxy)ethoxy]ethoxy]ethyl]-9H-fluorene (PubChem CID 175089715) has the molecular formula C22H28O4 and a molecular weight of 356.46 g/mol. Its IUPAC name is 1-[1-[1-[1-(1-methoxyethoxy)ethoxy]ethoxy]ethyl]-9H-fluorene.

Molecular Properties

Compound Name1-[1-[1-[1-(1-methoxyethoxy)ethoxy]ethoxy]ethyl]-9H-fluorene
PubChem CID175089715
Molecular FormulaC22H28O4
Molecular Weight356.46 g/mol
Exact Mass356.20
IUPAC Name1-[1-[1-[1-(1-methoxyethoxy)ethoxy]ethoxy]ethyl]-9H-fluorene
SMILESCOC(C)OC(C)OC(C)OC(C)c1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C22H28O4/c1-14(24-16(3)26-17(4)25-15(2)23-5)19-11-8-12-21-20-10-7-6-9-18(20)13-22(19)21/h6-12,14-17H,13H2,1-5H3
InChIKeyOMBGDWOZVHPPOH-UHFFFAOYSA-N
XLogP5.05
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.46
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[2,3-di(propan-2-yl)phenyl]-9H-fluorene
CID 151273743
1-(9H-fluoren-1-yl)-9H-fluorene
CID 19077838
4-(9H-fluoren-1-yl)pentan-2-ol
CID 151971706
1-(1-cyclopenta-1,3-dien-1-ylethyl)-9H-fluorene;zirconium(2+);dichloride
CID 19935939
1,8-di(propan-2-yl)-9H-fluorene
CID 160592533
1-[cyclopenta-2,4-dien-1-yl-(4-methoxyphenyl)methyl]-9H-fluorene
CID 140968923
2-(9H-fluoren-1-yl)butane-1,1,1-triol
CID 141018986
1-[2,6-di(propan-2-yl)phenyl]-2-(9H-fluoren-1-yl)-4-methylimidazole
CID 159190073
1-(2-methylpropyl)-9H-fluorene
CID 87557268
9H-fluoren-1-yl-tri(propan-2-yl)silane
CID 162150347
1-(propan-2-yloxymethyl)-9H-fluorene
CID 58283334
1-[2,3,4,5,6-pentakis(9H-fluoren-1-yl)phenyl]-9H-fluorene
CID 141308542

Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-[1-(1-methoxyethoxy)ethoxy]ethoxy]ethyl]-9H-fluorene?
The IUPAC name of 1-[1-[1-[1-(1-methoxyethoxy)ethoxy]ethoxy]ethyl]-9H-fluorene (CID 175089715) is 1-[1-[1-[1-(1-methoxyethoxy)ethoxy]ethoxy]ethyl]-9H-fluorene.
What is the SMILES notation for 1-[1-[1-[1-(1-methoxyethoxy)ethoxy]ethoxy]ethyl]-9H-fluorene?
The canonical SMILES for 1-[1-[1-[1-(1-methoxyethoxy)ethoxy]ethoxy]ethyl]-9H-fluorene is COC(C)OC(C)OC(C)OC(C)c1cccc2c1Cc1ccccc1-2.
What is the InChIKey of 1-[1-[1-[1-(1-methoxyethoxy)ethoxy]ethoxy]ethyl]-9H-fluorene?
The InChIKey is OMBGDWOZVHPPOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28O4/c1-14(24-16(3)26-17(4)25-15(2)23-5)19-11-8-12-21-20-10-7-6-9-18(20)13-22(19)21/h6-12,14-17H,13H2,1-5H3.
What are the key properties of 1-[1-[1-[1-(1-methoxyethoxy)ethoxy]ethoxy]ethyl]-9H-fluorene?
1-[1-[1-[1-(1-methoxyethoxy)ethoxy]ethoxy]ethyl]-9H-fluorene has a molecular weight of 356.46 g/mol, XLogP of 5.05, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-[1-(1-methoxyethoxy)ethoxy]ethoxy]ethyl]-9H-fluorene is sourced from PubChem (CID 175089715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).