4,7-dioxononanoic acid

C9H14O4 — CID 131853038

IUPAC4,7-dioxononanoic acid
SMILESCCC(=O)CCC(=O)CCC(=O)O
InChIInChI=1S/C9H14O4/c1-2-7(10)3-4-8(11)5-6-9(12)13/h2-6H2,1H3,(H,12,13)
InChIKeyNNWFZURHTMHQEC-UHFFFAOYSA-N
MW186.21 g/mol
LogP1.18
Rot. Bonds7

About 4,7-dioxononanoic acid

4,7-dioxononanoic acid (PubChem CID 131853038) has the molecular formula C9H14O4 and a molecular weight of 186.21 g/mol. Its IUPAC name is 4,7-dioxononanoic acid.

Molecular Properties

Compound Name4,7-dioxononanoic acid
PubChem CID131853038
Molecular FormulaC9H14O4
Molecular Weight186.21 g/mol
Exact Mass186.09
IUPAC Name4,7-dioxononanoic acid
SMILESCCC(=O)CCC(=O)CCC(=O)O
InChIInChI=1S/C9H14O4/c1-2-7(10)3-4-8(11)5-6-9(12)13/h2-6H2,1H3,(H,12,13)
InChIKeyNNWFZURHTMHQEC-UHFFFAOYSA-N
XLogP1.18
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

hexacosane-3,6,9,12,15,18,21,24-octone
CID 175857763
9-oxoundecanoic acid
CID 5282986
4,7-dioxoundecanoic acid
CID 165359282
heptadecane-3,7,11,15-tetrone
CID 160942813
2,5-dioxoheptanoic acid
CID 18004594
butane;butanedioic acid
CID 158477539
hydrogen peroxide;pentan-3-one
CID 18361632
azane;butanedioic acid;ethanol
CID 87975822
8-amino-4,7-dioxooctanoic acid
CID 161356163
4,9-dioxodecanoic acid
CID 87255764
hexadecane-3,6-dione
CID 154449726
8,8-dimethyl-4,7-dioxononanoic acid
CID 121218227

Frequently Asked Questions

What is the IUPAC name of 4,7-dioxononanoic acid?
The IUPAC name of 4,7-dioxononanoic acid (CID 131853038) is 4,7-dioxononanoic acid.
What is the SMILES notation for 4,7-dioxononanoic acid?
The canonical SMILES for 4,7-dioxononanoic acid is CCC(=O)CCC(=O)CCC(=O)O.
What is the InChIKey of 4,7-dioxononanoic acid?
The InChIKey is NNWFZURHTMHQEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O4/c1-2-7(10)3-4-8(11)5-6-9(12)13/h2-6H2,1H3,(H,12,13).
What are the key properties of 4,7-dioxononanoic acid?
4,7-dioxononanoic acid has a molecular weight of 186.21 g/mol, XLogP of 1.18, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dioxononanoic acid is sourced from PubChem (CID 131853038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).