6-fluoro-2-methyl-10-[2-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]decane-3,7-dione

C24H43FO8 — CID 158507512

IUPAC6-fluoro-2-methyl-10-[2-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]decane-3,7-dione
SMILESCC(C)C(=O)CCC(F)C(=O)CCCOCCOCCOCCOCCOCC(=O)C(C)C
InChIInChI=1S/C24H43FO8/c1-19(2)22(26)8-7-21(25)23(27)6-5-9-29-10-11-30-12-13-31-14-15-32-16-17-33-18-24(28)20(3)4/h19-21H,5-18H2,1-4H3
InChIKeyQKILDDOQVWXJFK-UHFFFAOYSA-N
MW478.60 g/mol
LogP2.99
Rot. Bonds24

About 6-fluoro-2-methyl-10-[2-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]decane-3,7-dione

6-fluoro-2-methyl-10-[2-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]decane-3,7-dione (PubChem CID 158507512) has the molecular formula C24H43FO8 and a molecular weight of 478.60 g/mol. Its IUPAC name is 6-fluoro-2-methyl-10-[2-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]decane-3,7-dione.

Molecular Properties

Compound Name6-fluoro-2-methyl-10-[2-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]decane-3,7-dione
PubChem CID158507512
Molecular FormulaC24H43FO8
Molecular Weight478.60 g/mol
Exact Mass478.29
IUPAC Name6-fluoro-2-methyl-10-[2-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]decane-3,7-dione
SMILESCC(C)C(=O)CCC(F)C(=O)CCCOCCOCCOCCOCCOCC(=O)C(C)C
InChIInChI=1S/C24H43FO8/c1-19(2)22(26)8-7-21(25)23(27)6-5-9-29-10-11-30-12-13-31-14-15-32-16-17-33-18-24(28)20(3)4/h19-21H,5-18H2,1-4H3
InChIKeyQKILDDOQVWXJFK-UHFFFAOYSA-N
XLogP2.99
TPSA97.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds24
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.60
LogP ≤ 52.99
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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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-methyl-10-[2-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]decane-3,7-dione?
The IUPAC name of 6-fluoro-2-methyl-10-[2-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]decane-3,7-dione (CID 158507512) is 6-fluoro-2-methyl-10-[2-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]decane-3,7-dione.
What is the SMILES notation for 6-fluoro-2-methyl-10-[2-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]decane-3,7-dione?
The canonical SMILES for 6-fluoro-2-methyl-10-[2-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]decane-3,7-dione is CC(C)C(=O)CCC(F)C(=O)CCCOCCOCCOCCOCCOCC(=O)C(C)C.
What is the InChIKey of 6-fluoro-2-methyl-10-[2-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]decane-3,7-dione?
The InChIKey is QKILDDOQVWXJFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H43FO8/c1-19(2)22(26)8-7-21(25)23(27)6-5-9-29-10-11-30-12-13-31-14-15-32-16-17-33-18-24(28)20(3)4/h19-21H,5-18H2,1-4H3.
What are the key properties of 6-fluoro-2-methyl-10-[2-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]decane-3,7-dione?
6-fluoro-2-methyl-10-[2-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]decane-3,7-dione has a molecular weight of 478.60 g/mol, XLogP of 2.99, 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-10-[2-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]decane-3,7-dione is sourced from PubChem (CID 158507512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).