8-acetyl-12-hydroxydodecanoic acid

C14H26O4 — CID 71400118

IUPAC8-acetyl-12-hydroxydodecanoic acid
SMILESCC(=O)C(CCCCO)CCCCCCC(=O)O
InChIInChI=1S/C14H26O4/c1-12(16)13(9-6-7-11-15)8-4-2-3-5-10-14(17)18/h13,15H,2-11H2,1H3,(H,17,18)
InChIKeyVFUWEWJAGRUVTO-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.78
Rot. Bonds12

About 8-acetyl-12-hydroxydodecanoic acid

8-acetyl-12-hydroxydodecanoic acid (PubChem CID 71400118) has the molecular formula C14H26O4 and a molecular weight of 258.36 g/mol. Its IUPAC name is 8-acetyl-12-hydroxydodecanoic acid.

Molecular Properties

Compound Name8-acetyl-12-hydroxydodecanoic acid
PubChem CID71400118
Molecular FormulaC14H26O4
Molecular Weight258.36 g/mol
Exact Mass258.18
IUPAC Name8-acetyl-12-hydroxydodecanoic acid
SMILESCC(=O)C(CCCCO)CCCCCCC(=O)O
InChIInChI=1S/C14H26O4/c1-12(16)13(9-6-7-11-15)8-4-2-3-5-10-14(17)18/h13,15H,2-11H2,1H3,(H,17,18)
InChIKeyVFUWEWJAGRUVTO-UHFFFAOYSA-N
XLogP2.78
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-acetyl-12-hydroxydodecanoic acid?
The IUPAC name of 8-acetyl-12-hydroxydodecanoic acid (CID 71400118) is 8-acetyl-12-hydroxydodecanoic acid.
What is the SMILES notation for 8-acetyl-12-hydroxydodecanoic acid?
The canonical SMILES for 8-acetyl-12-hydroxydodecanoic acid is CC(=O)C(CCCCO)CCCCCCC(=O)O.
What is the InChIKey of 8-acetyl-12-hydroxydodecanoic acid?
The InChIKey is VFUWEWJAGRUVTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O4/c1-12(16)13(9-6-7-11-15)8-4-2-3-5-10-14(17)18/h13,15H,2-11H2,1H3,(H,17,18).
What are the key properties of 8-acetyl-12-hydroxydodecanoic acid?
8-acetyl-12-hydroxydodecanoic acid has a molecular weight of 258.36 g/mol, XLogP of 2.78, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-acetyl-12-hydroxydodecanoic acid is sourced from PubChem (CID 71400118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).