11-hydroxy-3-oxododecanoic acid

C12H22O4 — CID 644255

IUPAC11-hydroxy-3-oxododecanoic acid
SMILESCC(O)CCCCCCCC(=O)CC(=O)O
InChIInChI=1S/C12H22O4/c1-10(13)7-5-3-2-4-6-8-11(14)9-12(15)16/h10,13H,2-9H2,1H3,(H,15,16)
InChIKeyHRGQUIFFJANCFT-UHFFFAOYSA-N
MW230.30 g/mol
LogP2.14
Rot. Bonds10

About 11-hydroxy-3-oxododecanoic acid

11-hydroxy-3-oxododecanoic acid (PubChem CID 644255) has the molecular formula C12H22O4 and a molecular weight of 230.30 g/mol. Its IUPAC name is 11-hydroxy-3-oxododecanoic acid.

Molecular Properties

Compound Name11-hydroxy-3-oxododecanoic acid
PubChem CID644255
Molecular FormulaC12H22O4
Molecular Weight230.30 g/mol
Exact Mass230.15
IUPAC Name11-hydroxy-3-oxododecanoic acid
SMILESCC(O)CCCCCCCC(=O)CC(=O)O
InChIInChI=1S/C12H22O4/c1-10(13)7-5-3-2-4-6-8-11(14)9-12(15)16/h10,13H,2-9H2,1H3,(H,15,16)
InChIKeyHRGQUIFFJANCFT-UHFFFAOYSA-N
XLogP2.14
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.30
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

13-methyl-3-oxotetradecanoic acid
CID 171037403
20-hydroxyhenicosanoic acid
CID 19591814
19-hydroxyicosanoic acid
CID 14535566
3,16-dioxooctadecanedioic acid
CID 22644280
2,10-dihydroxyundecan-6-one
CID 56979503
methyl 9-hydroxydecanoate
CID 530430
bis(hexanedioic acid);hexane-1,5-diol
CID 159262275
methyl 14-hydroxypentadecanoate
CID 13111893
methyl (7R)-7-hydroxyoctanoate
CID 13111883
hexanedioic acid;hexane-2,5-diol
CID 160536258
7-hydroxyoctanoate
CID 20848985
8-hydroxy-2-methylidenenonanoic acid
CID 54254175

Frequently Asked Questions

What is the IUPAC name of 11-hydroxy-3-oxododecanoic acid?
The IUPAC name of 11-hydroxy-3-oxododecanoic acid (CID 644255) is 11-hydroxy-3-oxododecanoic acid.
What is the SMILES notation for 11-hydroxy-3-oxododecanoic acid?
The canonical SMILES for 11-hydroxy-3-oxododecanoic acid is CC(O)CCCCCCCC(=O)CC(=O)O.
What is the InChIKey of 11-hydroxy-3-oxododecanoic acid?
The InChIKey is HRGQUIFFJANCFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O4/c1-10(13)7-5-3-2-4-6-8-11(14)9-12(15)16/h10,13H,2-9H2,1H3,(H,15,16).
What are the key properties of 11-hydroxy-3-oxododecanoic acid?
11-hydroxy-3-oxododecanoic acid has a molecular weight of 230.30 g/mol, XLogP of 2.14, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-hydroxy-3-oxododecanoic acid is sourced from PubChem (CID 644255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).