8-hydroxy-2,6-dimethylocta-2,6-dienoic acid

C10H16O3 — CID 54313026

IUPAC8-hydroxy-2,6-dimethylocta-2,6-dienoic acid
SMILESCC(=CCO)CCC=C(C)C(=O)O
InChIInChI=1S/C10H16O3/c1-8(6-7-11)4-3-5-9(2)10(12)13/h5-6,11H,3-4,7H2,1-2H3,(H,12,13)
InChIKeySMFMBDDFGPDMMD-UHFFFAOYSA-N
MW184.23 g/mol
LogP1.74
Rot. Bonds5

About 8-hydroxy-2,6-dimethylocta-2,6-dienoic acid

8-hydroxy-2,6-dimethylocta-2,6-dienoic acid (PubChem CID 54313026) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is 8-hydroxy-2,6-dimethylocta-2,6-dienoic acid.

Molecular Properties

Compound Name8-hydroxy-2,6-dimethylocta-2,6-dienoic acid
PubChem CID54313026
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name8-hydroxy-2,6-dimethylocta-2,6-dienoic acid
SMILESCC(=CCO)CCC=C(C)C(=O)O
InChIInChI=1S/C10H16O3/c1-8(6-7-11)4-3-5-9(2)10(12)13/h5-6,11H,3-4,7H2,1-2H3,(H,12,13)
InChIKeySMFMBDDFGPDMMD-UHFFFAOYSA-N
XLogP1.74
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-2,6-dimethylocta-2,6-dienoic acid?
The IUPAC name of 8-hydroxy-2,6-dimethylocta-2,6-dienoic acid (CID 54313026) is 8-hydroxy-2,6-dimethylocta-2,6-dienoic acid.
What is the SMILES notation for 8-hydroxy-2,6-dimethylocta-2,6-dienoic acid?
The canonical SMILES for 8-hydroxy-2,6-dimethylocta-2,6-dienoic acid is CC(=CCO)CCC=C(C)C(=O)O.
What is the InChIKey of 8-hydroxy-2,6-dimethylocta-2,6-dienoic acid?
The InChIKey is SMFMBDDFGPDMMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-8(6-7-11)4-3-5-9(2)10(12)13/h5-6,11H,3-4,7H2,1-2H3,(H,12,13).
What are the key properties of 8-hydroxy-2,6-dimethylocta-2,6-dienoic acid?
8-hydroxy-2,6-dimethylocta-2,6-dienoic acid has a molecular weight of 184.23 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-2,6-dimethylocta-2,6-dienoic acid is sourced from PubChem (CID 54313026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).