2-(1-hydroxyethylidene)dec-3-enoic acid

C12H20O3 — CID 76529997

IUPAC2-(1-hydroxyethylidene)dec-3-enoic acid
SMILESCCCCCCC=CC(C(=O)O)=C(C)O
InChIInChI=1S/C12H20O3/c1-3-4-5-6-7-8-9-11(10(2)13)12(14)15/h8-9,13H,3-7H2,1-2H3,(H,14,15)
InChIKeyGIMRJRMDTGZUNI-UHFFFAOYSA-N
MW212.29 g/mol
LogP3.43
Rot. Bonds7

About 2-(1-hydroxyethylidene)dec-3-enoic acid

2-(1-hydroxyethylidene)dec-3-enoic acid (PubChem CID 76529997) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is 2-(1-hydroxyethylidene)dec-3-enoic acid.

Molecular Properties

Compound Name2-(1-hydroxyethylidene)dec-3-enoic acid
PubChem CID76529997
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Name2-(1-hydroxyethylidene)dec-3-enoic acid
SMILESCCCCCCC=CC(C(=O)O)=C(C)O
InChIInChI=1S/C12H20O3/c1-3-4-5-6-7-8-9-11(10(2)13)12(14)15/h8-9,13H,3-7H2,1-2H3,(H,14,15)
InChIKeyGIMRJRMDTGZUNI-UHFFFAOYSA-N
XLogP3.43
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 2-(1-hydroxyethylidene)dec-3-enoic acid?
The IUPAC name of 2-(1-hydroxyethylidene)dec-3-enoic acid (CID 76529997) is 2-(1-hydroxyethylidene)dec-3-enoic acid.
What is the SMILES notation for 2-(1-hydroxyethylidene)dec-3-enoic acid?
The canonical SMILES for 2-(1-hydroxyethylidene)dec-3-enoic acid is CCCCCCC=CC(C(=O)O)=C(C)O.
What is the InChIKey of 2-(1-hydroxyethylidene)dec-3-enoic acid?
The InChIKey is GIMRJRMDTGZUNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O3/c1-3-4-5-6-7-8-9-11(10(2)13)12(14)15/h8-9,13H,3-7H2,1-2H3,(H,14,15).
What are the key properties of 2-(1-hydroxyethylidene)dec-3-enoic acid?
2-(1-hydroxyethylidene)dec-3-enoic acid has a molecular weight of 212.29 g/mol, XLogP of 3.43, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxyethylidene)dec-3-enoic acid is sourced from PubChem (CID 76529997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).