6-fluoro-2-methyl-7-[2-[2-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]heptan-3-one

C23H43FO8 — CID 157224867

IUPAC6-fluoro-2-methyl-7-[2-[2-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]heptan-3-one
SMILESCC(C)C(=O)CCC(F)COCCOCCOCCOCCOCCOCC(=O)C(C)C
InChIInChI=1S/C23H43FO8/c1-19(2)22(25)6-5-21(24)17-31-15-13-29-11-9-27-7-8-28-10-12-30-14-16-32-18-23(26)20(3)4/h19-21H,5-18H2,1-4H3
InChIKeyUDHJWIIHPATDFR-UHFFFAOYSA-N
MW466.59 g/mol
LogP2.65
Rot. Bonds24

About 6-fluoro-2-methyl-7-[2-[2-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]heptan-3-one

6-fluoro-2-methyl-7-[2-[2-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]heptan-3-one (PubChem CID 157224867) has the molecular formula C23H43FO8 and a molecular weight of 466.59 g/mol. Its IUPAC name is 6-fluoro-2-methyl-7-[2-[2-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]heptan-3-one.

Molecular Properties

Compound Name6-fluoro-2-methyl-7-[2-[2-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]heptan-3-one
PubChem CID157224867
Molecular FormulaC23H43FO8
Molecular Weight466.59 g/mol
Exact Mass466.29
IUPAC Name6-fluoro-2-methyl-7-[2-[2-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]heptan-3-one
SMILESCC(C)C(=O)CCC(F)COCCOCCOCCOCCOCCOCC(=O)C(C)C
InChIInChI=1S/C23H43FO8/c1-19(2)22(25)6-5-21(24)17-31-15-13-29-11-9-27-7-8-28-10-12-30-14-16-32-18-23(26)20(3)4/h19-21H,5-18H2,1-4H3
InChIKeyUDHJWIIHPATDFR-UHFFFAOYSA-N
XLogP2.65
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds24
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.59
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

6-Fluoro-2-methyl-7-[2-(4-oxo-5-propan-2-yloxypentoxy)ethoxy]heptan-3-one
CID 146862843
6-Fluoro-2-methyl-7-[2-[2-[2-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]heptan-3-one
CID 147249193
6-Fluoro-2-methyl-7-(7-oxo-8-propan-2-yloxyoctoxy)heptan-3-one
CID 157179330
6-Fluoro-2-methyl-7-[2-[2-[2-(4-oxo-5-propan-2-yloxypentoxy)ethoxy]ethoxy]ethoxy]heptan-3-one
CID 157179333
6-Fluoro-2-methyl-8-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]octan-3-one
CID 157968248
6-Fluoro-2-methyl-7-[2-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]ethoxy]heptan-3-one
CID 158153772
6-Fluoro-2-methyl-10-[2-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]decane-3,7-dione
CID 158507512
6-Fluoro-2,7-dimethyl-7-[2-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]ethoxy]octan-3-one
CID 158770986
6-Fluoro-2,2-dimethyl-7-[2-[2-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]heptan-3-one
CID 158841615
6-Fluoro-2-methyl-7-[2-(4-methylpentoxy)ethoxy]heptan-3-one
CID 158934567
6-Fluoro-2-methyl-7-[2-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]ethoxy]octan-3-one
CID 158934570
6-Fluoro-2-methyl-7-[3-(5-oxo-6-propan-2-yloxyhexoxy)propoxy]heptan-3-one
CID 160711548

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-methyl-7-[2-[2-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]heptan-3-one?
The IUPAC name of 6-fluoro-2-methyl-7-[2-[2-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]heptan-3-one (CID 157224867) is 6-fluoro-2-methyl-7-[2-[2-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]heptan-3-one.
What is the SMILES notation for 6-fluoro-2-methyl-7-[2-[2-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]heptan-3-one?
The canonical SMILES for 6-fluoro-2-methyl-7-[2-[2-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]heptan-3-one is CC(C)C(=O)CCC(F)COCCOCCOCCOCCOCCOCC(=O)C(C)C.
What is the InChIKey of 6-fluoro-2-methyl-7-[2-[2-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]heptan-3-one?
The InChIKey is UDHJWIIHPATDFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H43FO8/c1-19(2)22(25)6-5-21(24)17-31-15-13-29-11-9-27-7-8-28-10-12-30-14-16-32-18-23(26)20(3)4/h19-21H,5-18H2,1-4H3.
What are the key properties of 6-fluoro-2-methyl-7-[2-[2-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]heptan-3-one?
6-fluoro-2-methyl-7-[2-[2-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]heptan-3-one has a molecular weight of 466.59 g/mol, XLogP of 2.65, 24 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-methyl-7-[2-[2-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]heptan-3-one is sourced from PubChem (CID 157224867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).