(2E,4E,7R)-7-hydroxy-2,4-dimethylocta-2,4-dienoic acid

C10H16O3 — CID 171118566

IUPAC(2E,4E,7R)-7-hydroxy-2,4-dimethylocta-2,4-dienoic acid
SMILESCC(=C\C[C@@H](C)O)/C=C(\C)C(=O)O
InChIInChI=1S/C10H16O3/c1-7(4-5-9(3)11)6-8(2)10(12)13/h4,6,9,11H,5H2,1-3H3,(H,12,13)/b7-4+,8-6+/t9-/m1/s1
InChIKeyHQOOQTRMQYVQDW-LPGIYJELSA-N
MW184.23 g/mol
LogP1.73
Rot. Bonds4

About (2E,4E,7R)-7-hydroxy-2,4-dimethylocta-2,4-dienoic acid

(2E,4E,7R)-7-hydroxy-2,4-dimethylocta-2,4-dienoic acid (PubChem CID 171118566) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is (2E,4E,7R)-7-hydroxy-2,4-dimethylocta-2,4-dienoic acid.

Molecular Properties

Compound Name(2E,4E,7R)-7-hydroxy-2,4-dimethylocta-2,4-dienoic acid
PubChem CID171118566
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name(2E,4E,7R)-7-hydroxy-2,4-dimethylocta-2,4-dienoic acid
SMILESCC(=C\C[C@@H](C)O)/C=C(\C)C(=O)O
InChIInChI=1S/C10H16O3/c1-7(4-5-9(3)11)6-8(2)10(12)13/h4,6,9,11H,5H2,1-3H3,(H,12,13)/b7-4+,8-6+/t9-/m1/s1
InChIKeyHQOOQTRMQYVQDW-LPGIYJELSA-N
XLogP1.73
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,4E,7R)-7-hydroxy-2,4-dimethylocta-2,4-dienoic acid?
The IUPAC name of (2E,4E,7R)-7-hydroxy-2,4-dimethylocta-2,4-dienoic acid (CID 171118566) is (2E,4E,7R)-7-hydroxy-2,4-dimethylocta-2,4-dienoic acid.
What is the SMILES notation for (2E,4E,7R)-7-hydroxy-2,4-dimethylocta-2,4-dienoic acid?
The canonical SMILES for (2E,4E,7R)-7-hydroxy-2,4-dimethylocta-2,4-dienoic acid is CC(=C\C[C@@H](C)O)/C=C(\C)C(=O)O.
What is the InChIKey of (2E,4E,7R)-7-hydroxy-2,4-dimethylocta-2,4-dienoic acid?
The InChIKey is HQOOQTRMQYVQDW-LPGIYJELSA-N. The full InChI is InChI=1S/C10H16O3/c1-7(4-5-9(3)11)6-8(2)10(12)13/h4,6,9,11H,5H2,1-3H3,(H,12,13)/b7-4+,8-6+/t9-/m1/s1.
What are the key properties of (2E,4E,7R)-7-hydroxy-2,4-dimethylocta-2,4-dienoic acid?
(2E,4E,7R)-7-hydroxy-2,4-dimethylocta-2,4-dienoic acid has a molecular weight of 184.23 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,7R)-7-hydroxy-2,4-dimethylocta-2,4-dienoic acid is sourced from PubChem (CID 171118566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).