8-methyl-5-oxononanoic acid

C10H18O3 — CID 132543963

IUPAC8-methyl-5-oxononanoic acid
SMILESCC(C)CCC(=O)CCCC(=O)O
InChIInChI=1S/C10H18O3/c1-8(2)6-7-9(11)4-3-5-10(12)13/h8H,3-7H2,1-2H3,(H,12,13)
InChIKeyCVTYGALEXWGUJW-UHFFFAOYSA-N
MW186.25 g/mol
LogP2.25
Rot. Bonds7

About 8-methyl-5-oxononanoic acid

8-methyl-5-oxononanoic acid (PubChem CID 132543963) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 8-methyl-5-oxononanoic acid.

Molecular Properties

Compound Name8-methyl-5-oxononanoic acid
PubChem CID132543963
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name8-methyl-5-oxononanoic acid
SMILESCC(C)CCC(=O)CCCC(=O)O
InChIInChI=1S/C10H18O3/c1-8(2)6-7-9(11)4-3-5-10(12)13/h8H,3-7H2,1-2H3,(H,12,13)
InChIKeyCVTYGALEXWGUJW-UHFFFAOYSA-N
XLogP2.25
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-5-oxononanoic acid?
The IUPAC name of 8-methyl-5-oxononanoic acid (CID 132543963) is 8-methyl-5-oxononanoic acid.
What is the SMILES notation for 8-methyl-5-oxononanoic acid?
The canonical SMILES for 8-methyl-5-oxononanoic acid is CC(C)CCC(=O)CCCC(=O)O.
What is the InChIKey of 8-methyl-5-oxononanoic acid?
The InChIKey is CVTYGALEXWGUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-8(2)6-7-9(11)4-3-5-10(12)13/h8H,3-7H2,1-2H3,(H,12,13).
What are the key properties of 8-methyl-5-oxononanoic acid?
8-methyl-5-oxononanoic acid has a molecular weight of 186.25 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-5-oxononanoic acid is sourced from PubChem (CID 132543963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).