4,7-dioxoundecanoic acid

C11H18O4 — CID 165359282

IUPAC4,7-dioxoundecanoic acid
SMILESCCCCC(=O)CCC(=O)CCC(=O)O
InChIInChI=1S/C11H18O4/c1-2-3-4-9(12)5-6-10(13)7-8-11(14)15/h2-8H2,1H3,(H,14,15)
InChIKeyNUIDLEYBFLNNHV-UHFFFAOYSA-N
MW214.26 g/mol
LogP1.96
Rot. Bonds9

About 4,7-dioxoundecanoic acid

4,7-dioxoundecanoic acid (PubChem CID 165359282) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is 4,7-dioxoundecanoic acid.

Molecular Properties

Compound Name4,7-dioxoundecanoic acid
PubChem CID165359282
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Name4,7-dioxoundecanoic acid
SMILESCCCCC(=O)CCC(=O)CCC(=O)O
InChIInChI=1S/C11H18O4/c1-2-3-4-9(12)5-6-10(13)7-8-11(14)15/h2-8H2,1H3,(H,14,15)
InChIKeyNUIDLEYBFLNNHV-UHFFFAOYSA-N
XLogP1.96
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-oxopentadecanoic acid
CID 14454467
5-amino-4-oxopentanoic acid;pentanoic acid
CID 50943307
lanthanum;pentanoic acid
CID 88604988
CID 159436476
CID 159436476
pentanoic acid;silver
CID 87285302
ethane;pentanoic acid
CID 142198531
bis(butanedioic acid);decane
CID 159628544
pentanoic acid;stannane
CID 173249748
6,8-dioxododecanoic acid
CID 88561776
6-oxononanoic acid
CID 5282981
CID 174614333
CID 174614333
icosane;pentanoic acid
CID 159151393

Frequently Asked Questions

What is the IUPAC name of 4,7-dioxoundecanoic acid?
The IUPAC name of 4,7-dioxoundecanoic acid (CID 165359282) is 4,7-dioxoundecanoic acid.
What is the SMILES notation for 4,7-dioxoundecanoic acid?
The canonical SMILES for 4,7-dioxoundecanoic acid is CCCCC(=O)CCC(=O)CCC(=O)O.
What is the InChIKey of 4,7-dioxoundecanoic acid?
The InChIKey is NUIDLEYBFLNNHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O4/c1-2-3-4-9(12)5-6-10(13)7-8-11(14)15/h2-8H2,1H3,(H,14,15).
What are the key properties of 4,7-dioxoundecanoic acid?
4,7-dioxoundecanoic acid has a molecular weight of 214.26 g/mol, XLogP of 1.96, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dioxoundecanoic acid is sourced from PubChem (CID 165359282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).