(2E,6E)-8-hydroxy-2,6-dimethylocta-2,6-dienoic acid

C10H16O3 — CID 12681385

IUPAC(2E,6E)-8-hydroxy-2,6-dimethylocta-2,6-dienoic acid
SMILESC/C(=C\CO)CC/C=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)/b8-6+,9-5+
InChIKeySMFMBDDFGPDMMD-RFSWUZDDSA-N
MW184.23 g/mol
LogP1.74
Rot. Bonds5

About (2E,6E)-8-hydroxy-2,6-dimethylocta-2,6-dienoic acid

(2E,6E)-8-hydroxy-2,6-dimethylocta-2,6-dienoic acid (PubChem CID 12681385) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is (2E,6E)-8-hydroxy-2,6-dimethylocta-2,6-dienoic acid.

Molecular Properties

Compound Name(2E,6E)-8-hydroxy-2,6-dimethylocta-2,6-dienoic acid
PubChem CID12681385
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name(2E,6E)-8-hydroxy-2,6-dimethylocta-2,6-dienoic acid
SMILESC/C(=C\CO)CC/C=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)/b8-6+,9-5+
InChIKeySMFMBDDFGPDMMD-RFSWUZDDSA-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 (2E,6E)-8-hydroxy-2,6-dimethylocta-2,6-dienoic acid?
The IUPAC name of (2E,6E)-8-hydroxy-2,6-dimethylocta-2,6-dienoic acid (CID 12681385) is (2E,6E)-8-hydroxy-2,6-dimethylocta-2,6-dienoic acid.
What is the SMILES notation for (2E,6E)-8-hydroxy-2,6-dimethylocta-2,6-dienoic acid?
The canonical SMILES for (2E,6E)-8-hydroxy-2,6-dimethylocta-2,6-dienoic acid is C/C(=C\CO)CC/C=C(\C)C(=O)O.
What is the InChIKey of (2E,6E)-8-hydroxy-2,6-dimethylocta-2,6-dienoic acid?
The InChIKey is SMFMBDDFGPDMMD-RFSWUZDDSA-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)/b8-6+,9-5+.
What are the key properties of (2E,6E)-8-hydroxy-2,6-dimethylocta-2,6-dienoic acid?
(2E,6E)-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 (2E,6E)-8-hydroxy-2,6-dimethylocta-2,6-dienoic acid is sourced from PubChem (CID 12681385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).