10-oxo-10-propan-2-yloxydecanoic acid

C13H24O4 — CID 10131064

IUPAC10-oxo-10-propan-2-yloxydecanoic acid
SMILESCC(C)OC(=O)CCCCCCCCC(=O)O
InChIInChI=1S/C13H24O4/c1-11(2)17-13(16)10-8-6-4-3-5-7-9-12(14)15/h11H,3-10H2,1-2H3,(H,14,15)
InChIKeyLVOGXJMCDAOKSQ-UHFFFAOYSA-N
MW244.33 g/mol
LogP3.14
Rot. Bonds10

About 10-oxo-10-propan-2-yloxydecanoic acid

10-oxo-10-propan-2-yloxydecanoic acid (PubChem CID 10131064) has the molecular formula C13H24O4 and a molecular weight of 244.33 g/mol. Its IUPAC name is 10-oxo-10-propan-2-yloxydecanoic acid.

Molecular Properties

Compound Name10-oxo-10-propan-2-yloxydecanoic acid
PubChem CID10131064
Molecular FormulaC13H24O4
Molecular Weight244.33 g/mol
Exact Mass244.17
IUPAC Name10-oxo-10-propan-2-yloxydecanoic acid
SMILESCC(C)OC(=O)CCCCCCCCC(=O)O
InChIInChI=1S/C13H24O4/c1-11(2)17-13(16)10-8-6-4-3-5-7-9-12(14)15/h11H,3-10H2,1-2H3,(H,14,15)
InChIKeyLVOGXJMCDAOKSQ-UHFFFAOYSA-N
XLogP3.14
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

hexadecanoic acid;propan-2-yl octadecanoate
CID 88712147
propan-2-yl 7-methyloctanoate;tetradecanoic acid
CID 174998882
10-oxo-6-propan-2-yl-10-propan-2-yloxydecanoic acid
CID 57078469
propan-2-yl undecanoate
CID 3016538
2-aminoacetic acid;propan-2-yl tetradecanoate
CID 163457467
propan-2-yl dodecanoate;titanium(2+)
CID 18314327
6-(1-methoxyethoxy)-6-oxohexanoic acid
CID 87368895
dodecan-1-ol;heptane;octadec-9-enoic acid;octan-1-ol;propan-2-yl hexadecanoate
CID 173216197
propan-2-yl 6-methylheptanoate
CID 23338189
dipropan-2-yl 4-methyloctadecanedioate
CID 87117331
dipropan-2-yl 4-methylnonadecanedioate
CID 87116934
2-ethylhexanedioic acid;propan-2-yl hexanoate
CID 175244163

Frequently Asked Questions

What is the IUPAC name of 10-oxo-10-propan-2-yloxydecanoic acid?
The IUPAC name of 10-oxo-10-propan-2-yloxydecanoic acid (CID 10131064) is 10-oxo-10-propan-2-yloxydecanoic acid.
What is the SMILES notation for 10-oxo-10-propan-2-yloxydecanoic acid?
The canonical SMILES for 10-oxo-10-propan-2-yloxydecanoic acid is CC(C)OC(=O)CCCCCCCCC(=O)O.
What is the InChIKey of 10-oxo-10-propan-2-yloxydecanoic acid?
The InChIKey is LVOGXJMCDAOKSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O4/c1-11(2)17-13(16)10-8-6-4-3-5-7-9-12(14)15/h11H,3-10H2,1-2H3,(H,14,15).
What are the key properties of 10-oxo-10-propan-2-yloxydecanoic acid?
10-oxo-10-propan-2-yloxydecanoic acid has a molecular weight of 244.33 g/mol, XLogP of 3.14, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-oxo-10-propan-2-yloxydecanoic acid is sourced from PubChem (CID 10131064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).